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Structure of Aspirin (C9H8O4)

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2D chemical structure image of aspirin
Chemical Formula C9H8O4
Molecular Weight 180.15742 g/mol
IUPAC Name 2-(acetyloxy)benzoic acid
SMILES String CC(=O)Oc1ccccc1C(O)=O
InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey BSYNRYMUTXBXSQ-UHFFFAOYSA-N
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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The aspirin molecule contains a total of 21 bond(s). There are 13 non-H bond(s), 8 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aromatic), 1 ester(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of aspirin are given below:

2D chemical structure image of aspirin
2-dimensional (2D) chemical structure image of aspirin
3D chemical structure image of aspirin
3-dimensional (3D) chemical structure image of aspirin

The 2D chemical structure image of aspirin is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of aspirin are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of aspirin is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of aspirin. Download structure data file (SDF/MOL) file of this compound.


Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of aspirin is provided here.

The aspirin molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the aspirin molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of aspirin can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


Search Another Chemical Structure

Enter another compound to search for chemical structure:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying Aspirin Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of aspirin

    The SMILES string of aspirin is CC(=O)Oc1ccccc1C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the aspirin.

  • Structure Data File (SDF/MOL File) of aspirin

    The structure data file (SDF/MOL File) of aspirin is available for download in the SDF page of aspirin, which provides the information about the atoms, bonds, connectivity and coordinates of aspirin. The aspirin structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of aspirin

    The molecular formula of aspirin is available in chemical formula page of aspirin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of aspirin

    The molecular weight of aspirin is available in molecular weight page of aspirin, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

  • Other names (synonyms) or registry numbers of aspirin

    The aspirin compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of aspirin including the various registry numbers, if available:

    • EN300-19606
    • BBV-60751973
    • Aspirinreg
    • Acetophenreg
    • Aspirin (Acetyl Salicylic Acid), pharmaceutical secondary standard; traceable to USP, PhEur and BP
    • 2-ACETOXYBENZOIC ACID COMPOUND WITH 2-AMINO-2-(HYDROXYMETHYL)PROPANE-1 3-DIOL (1:1)
    • 156865-15-5
    • Acetylsalicylic acid for peak identification, European Pharmacopoeia (EP) Reference Standard
    • Acetylsalicylic acid, BioReagent, plant cell culture tested, >=99.0%
    • Bayer Chewable - Aspirin Regimen Low Dose Aspirin Cherry Flavored
    • Acetylsalicylic acid, European Pharmacopoeia (EP) Reference Standard
    • Acetylsalicylic Acid Extra Strength Stomach Protection 500mg Caplets
    • D41527A7-A9EB-472D-A7FC-312821130549
    • Aspirin, United States Pharmacopeia (USP) Reference Standard
    • 2-Acetoxybenzoic acid; O-Acetylsalicylic acid; ASA; Aspirin
    • Z234893989
    • F2191-0068
    • Acetylsalicylic acid, Vetec(TM) reagent grade, >=99%
    • Good Neighbor Pharmacy Aspirin Orange Flavor Chewable
    • Bayer Aspirin Regimen Chewable Low Dose Aspirin Orange
    • Acetylsalicylic Acid Stomach Protection 325mg Tablets
    • Acetylsalicylic Acid Extra Strength 500mg Tablets USP
    • SR-01000075668-1
    • METHANONE,(2-CHLORO-3-PYRIDINYL)CYCLOBUTYL-
    • Health Mart Regular Strength Enteric Coated Aspirin
    • Good Neighbor Pharmacy Aspirin Enteric Safety Coated
    • Aspirin Coated for Delayed Release Regular Strength
    • Arthritis Pain Formula Maximum Strength (Salt/Mix)
    • Aspirin Coated for Delayed Release Extra Strength
    • Health Sense Adult Chewable Low Strength Aspirin
    • AB00051918-08
    • A.S.A. (acetylsalicylic Acid) Tab 325mg USP
    • Adult Low Dose Aspirin Enteric Safety Coated
    • component of Darvon with A.S.A (Salt/Mix)
    • Acetylsalicylic Acid A.S.A. Tablets 325mg
    • Acetylsalicylic Acid 80 Mg Chewable Tablets
    • Ascriptin Regular Strength Buffered Aspirin
    • Ascriptin Maximum Strength Buffered Aspirin
    • SBI-0050027.P004
    • Enteric Coated A.S.A. (caplet)
    • A.S.A. 80mg Acetylsalicylic Acid Tablets
    • H740
    • Aspirin, meets USP testing specifications
    • Aspirin Regular Strength Regular Strength
    • Aspirin Extra Strength With Stomach Guard
    • Value Pharmapain Reliever Extra Strength
    • Good Sense Aspirin Enteric Safety Coated
    • Enteric Coated Daily Low Dose Asa 81mg
    • Enteric Coated A.S.a (caplet)
    • Aspirin Enteric Coated, Regular Strength
    • Acetylsalicylic acid, analytical standard
    • Regular Strength Enteric Coated Aspirin
    • Low Dose Miniprin Enteric Safety Coated
    • London Drugs Coated Daily Low-dose Asa
    • Enteric Coated Aspirin Regular Strength
    • Bayer Advanced Aspirin Regular Strength
    • BAY-1019036
    • Acetylsalicylic Acid 325mg Tablets USP
    • RTX-012224
    • Low Dose Aspirin Enteric Safety Coated
    • Low Dose Aspirin 81 Mg Safety Coated
    • Aspirin Extra Strength 500mg Tab USP
    • Praxis Asa EC 81 Mg Daily Low Dose
    • component of Ascodeen-30 (Salt/Mix)
    • Bayer Aspirin Regimen Regular Strength
    • Aspirin Stomach Guard Regular Strength
    • Aspirin Arthritis Pain Relief 650 mg
    • Asa 325 Mg Tablets Regular Strength
    • Adult Low Dose Enteric Coated Aspirin
    • ACETYLSALICYLIC ACID-ALPHA-13C
    • Smart Health Aspirin Regular Strength
    • Regular Strength Tri-buffered Aspirin
    • Handy Solutions Genuine Aspirin Bayer
    • Bayer Advanced Aspirin Extra Strength
    • Aspirin Safety Coated Adult Low Dose
    • Aspirin Enteric Coated Caplet 325mg
    • Aspirin - Children's Size - Tablets
    • CCG-39490
    • Bayer Aspirin Extra Strength Caplets
    • Aspirin Stomach Guard Extra Strength
    • ANW-31125
    • A.S.A. Enteric Coated Tab 650mg
    • A.S.A. Enteric Coated Tab 325mg
    • Asa 500 Mg Tablets Extra Strength
    • ACETYLSALICYLIC ACID, ASPIRIN
    • Acetylsalicylic Acid Tab 325mg BP
    • Value Pharma Aspirin Pain Reliever
    • Sunmark Aspirin Adult Low Strength
    • Enteric Coated Asa Tablets 650mg
    • Enteric Coated Asa Tablets 325mg
    • Coated Daily Low Dose Asa 81 mg
    • Aspirin Delayed Release
    • Asa 81 mg
    • Asa 80 mg
    • Asa 325mg
    • 2-acetoxy benzoic acid
    • O-accetylsalicylic acid
    • Micrainin (Salt/Mix)
    • Entrophen Ect 975mg
    • Entrophen Ect 650mg
    • Entrophen Ect 500mg
    • Ascriptin (Salt/Mix)
    • Equate Daily Low-dose
    • Enteric Coated Aspirin
    • Aspirin Extra Strength
    • Aspirin Enteric Coated
    • Viva Asa 325 mg
    • Rivasa 81 Mg EC
    • Percodan (Salt/Mix)
    • Headache Tab 300mg
    • Bayer Enteric 325 mg Regular Strength
    • Asa Tab 325mg
    • Asa Ect 650mg
    • Asa Ect 600mg
    • Asa Ect 325mg
    • Safety Coated Aspirin
    • Rapid Comfort Aspirin
    • o-(Acetyloxy)benzoate
    • Jamp-asa 81mg EC
    • Direct Safety Aspirin
    • Bayer Genuine Aspirin
    • Aspirin Safety Coated
    • Asa 80mg
    • Asatab EC 650mg
    • Asatab EC 325mg
    • Coryphen 650 Tab
    • Coryphen 325 Tab
    • Asaphen Plus 325
    • PMS-asa EC
    • nchem.859-comp6
    • Lowprin 325
    • Kroger Value Aspirin
    • Henry Schein Aspirin
    • Health Sense Ecpirin
    • Aspirin USP-26
    • Aspirin Low Strength
    • Aspirin Express Pack
    • Asa Chewable Tablets
    • acetyl-salicylic acid
    • Tri-buffered Aspirin
    • Micro-coated Aspirin
    • Aspirin 325 mg
    • Asa Daily Low Dose
    • Asadol 650mg
    • Asadol 325mg
    • Asa EC
    • Smart Sense Aspirin
    • Pain Relief Aspirin
    • Health Mart Aspirin
    • Aspirin Thin Coated
    • Aspalon (JAN)
    • Asaphen E.C.
    • Up and Up Aspirin
    • Aspirin 81 mg
    • 99512-66-0
    • PMS-asa
    • PHL-asa
    • Good Sense Aspirin
    • Bayer Fast Release
    • acetylsalisylic acid
    • Medi-first Aspirin
    • Lowprin 80mg
    • Euro-asa EC
    • Dg Health Aspirin
    • Aspirin 81mg
    • 7 Select Aspirin
    • Entrophen Chewable
    • AcetylsalicylicAcid
    • Low Dose Aspirin
    • Care One Aspirin
    • Aspirin Low Dose
    • Aspirin 5 Grain
    • 2-Acetoxybenzoate
    • Rx Act Aspirin
    • Entrophen 80mg
    • Bayer Low Dose
    • Astrin 5gr
    • Formucare Aspirin
    • Euro Asa
    • Childrens Aspirin
    • Aspirin EC
    • Asaphen EC
    • Rivasa Fc
    • Azetylsalizylsaure
    • Aspir Low
    • Zee Aspirin
    • Uncoated Aspirin
    • Equaline Aspirin
    • Chewable Aspirin
    • Buffered Aspirin
    • Aspirin Migraine
    • Aspirin Granules
    • Aspirin Chewable
    • Aspi-cor
    • Rugby Aspirin
    • North Aspirin
    • Bayer Aspirin
    • Aspirin Nsaid
    • Topcare Aspirin
    • Sunmark Aspirin
    • Rexall Aspirin
    • Medique Aspirin
    • Leader Aspirin
    • Genuine Aspirin
    • Equate Aspirin
    • Enteric Aspirin
    • Aspirin Enteric
    • aspirin (acetylsalicylic acid)
    • Toldex
    • aspirin lysine
    • Acesan
    • Salospir
    • Pravigard
    • Novasen
    • Miniprin
    • Miniasal
    • Medpurine
    • Fasprin
    • Colsprin
    • Ascolong
    • Acetyonyl
    • Cardioaspirina
    • Aspropharm
    • Bay E4465
    • Bayer Children's Aspirin
    • 98201-60-6
    • 26914-13-6
    • 2349-94-2
    • 11126-37-7
    • CAS-50-78-2
    • component of St. Joseph Cold Tablets
    • Durlaza
    • Acide acetylsalicylique (FRENCH)
    • component of Darvon with A.S.A
    • I14-7505
    • AIN
    • 11126-35-5
    • Acetylsalicylsaure (GERMAN)
    • D00109
    • A 5376
    • component of Ascodeen-30
    • UNM-0000306102
    • o-acetyl-salicylic acid
    • o-Acetoxybenzoate
    • component of Robaxisal
    • component of Persistin
    • component of Coricidin
    • component of Zactirin
    • MFCD00002430
    • HMS2091K13
    • HMS2090G03
    • HMS1920E13
    • HMS501L17
    • SPECTRUM1500130
    • BIDD:GT0118
    • acide 2-(acetyloxy)benzoique
    • Bay-e-4465
    • A.S.A
    • o-(Acetyloxy)benzoic acid
    • Lopac-A-5376
    • Bayer Extra Strength Aspirin for Migraine Pain
    • Kyselina 2-acetoxybenzoova [Czech]
    • Acido O-acetil-benzoico [Italian]
    • Kyselina acetylsalicylova [Czech]
    • 2-(acetyloxy)benzoate
    • Acido acetilsalicilico [Italian]
    • Acide acetylsalicylique [French]
    • Empirin with Codeine
    • component of Synirin
    • Benzoicacid, 2-(acetyloxy)-
    • Acetard
    • Easprin (TN)
    • ECM
    • component of Midol
    • Acetylsalicylsaure [German]
    • 1oxr
    • Asacard
    • Cardioaspirin
    • S-211
    • Bayer Aspirin 8 Hour
    • Aspirin [BAN:JAN]
    • acetyl salicylic acid
    • Dispril
    • Ascoden-30
    • AC 5230
    • Kyselina 2-acetoxybenzoova
    • Acetysalicylic acid
    • Acetoxybenzoic acid
    • St. Joseph Aspirin for Adults
    • SP 189
    • Azetylsalizylsaeure
    • Acetylsalicylsaeure
    • Kyselina acetylsalicylova
    • Acido O-acetil-benzoico
    • Salicylic acid, acetate
    • Aspir-Mox
    • Bayer Plus
    • Bayer Buffered
    • Solupsan
    • Aspalon
    • Asaphen
    • Triaminicin
    • Aloxiprimum
    • Acetylsalycilic acid
    • 2-Acetoxybenzenecarboxylic acid
    • Aspirina 03
    • ASA
    • St. Joseph
    • 2-acetyloxybenzoic acid
    • Rheumin tabletten
    • Nu-seals aspirin
    • Nu-seals
    • Aspro Clear
    • A.S.A.
    • Supac
    • Ronal
    • Medisyl
    • Asprin
    • Asatard
    • Polopirin
    • Magnecyl
    • Istopirin
    • Acetysal
    • 8-hour Bayer
    • Benzoic acid, 2-(acetyloxy)-
    • Acetylsalicylsaure
    • 2-Carboxyphenyl acetate
    • Bufferin Low Dose Buffered Aspirin
    • Aspirin Chewable Tablets - 325mg
    • Aspirin Adult Low Strength Aspirin
    • Pharmakon1600-01500130
    • HMS3656N14
    • HMS3372N15
    • HMS3260G17
    • HMS2233L18
    • ST. Joseph Safety Coated Aspirin
    • Rexall Coated Daily Low Dose Asa
    • component of Zactirin (Salt/Mix)
    • Asa Extra Strength Caplet 500mg
    • Acetylsalicylic acid, >=99.0%
    • Pharbest Regular Strength Aspirin
    • Euro Asa 325mg Chewable Tablet
    • Empirin with Codeine (Salt/Mix)
    • Buffered Aspirin Regular Strength
    • Aspirin - Children's Size 80mg
    • HMDB01879
    • Exact Coated Daily Low-dose Asa
    • BDBM22360
    • 7 Select Adult Chewable Aspirin
    • Sunmark Aspirin Regular Strength
    • R16CO5Y76E [UNII]
    • Equaline Aspirin Adult Low Dose
    • Enteric Coated Low Dose Aspirin
    • Enteric Aspirin Regular Strength
    • Chewable Adult Low Dose Aspirin
    • Aspirin Low Dose Enteric Coated
    • Aspirin Enteric Coated Low Dose
    • Aspirin Coated Caplets 325 mg
    • Aspirin Chewable Tablets 325mg
    • Acetylsalicylic Acid Tab 325mg
    • Acetylsalicylic Acid Tab 300mg
    • O-Acetylsalicylic acid; Aspirin
    • Aspirin 81 Mg Nsaid Low Dose
    • Asatab 80 Mg Chewable Tablets
    • Asa Tab 325mg Enteric Coated
    • Asa Extra Strength Tab 500mg
    • R16CO5Y76E
    • GTPL4139
    • Aspirin Low Dose Safety Coated
    • Acetylsalicylic acid, >=99%
    • Rivasa 80mg Croquable - Tab
    • Lo-asa 80mg Chewable - Tab
    • Leader Cardinal Health Aspirin
    • Good Neighbor Pharmacy Aspirin
    • Aspirin Low Strength, Enteric
    • Aspirin Coated Caplets 500mg
    • Aspirin|2-Acetoxybenzoic acid
    • Aspirin 81mg Adult Low Dose
    • A.S.A. 325 Mg Tablet
    • Pro-aas - 80 (croquable)
    • Pain Relief Aspirin Low Dose
    • Lowprin 325 Chewable Tablet
    • Low Strength Chewable Aspirin
    • Enteric Safety Coated Aspirin
    • Aspirin Enteric Safety-coated
    • Aspirin Enteric Safety Coated
    • 2-(AcetYl-Oxy)Benzoic Acid
    • Enteric Coated Asa 650 mg
    • Enteric Coated Asa 325 mg
    • EC-81aspirin Enteric Coated
    • Coated Aspirin - Ect 80mg
    • ST. Joseph Chewable Aspirin
    • Flanax Aspirin Pain Reliever
    • Entrophen 650mg Caplet Ect
    • D001241
    • Critical Care Aspirin To Go
    • Chewable Daily Low Dose Asa
    • Aspirin Low Dose Sugar Free
    • Aspergum 325 Mg (cherry)
    • UNII=R16CO5Y76E
    • UNII R16CO5Y76E
    • Plus Pharma Nsaid 325 mg
    • Aspirin USP (2080B)
    • 2-(Acetyloxy)-benzoic acid
    • Regular Strength Aspirin EC
    • Lowprin 80 Chewable Tablet
    • Aspirin Extra Strength Plus
    • Asa Tablets USP 325 mg
    • Adults Low Strength Aspirin
    • A.S.A. Tablets 5gr BP
    • Up and Up Chewable Aspirin
    • Pravigard PAC (Salt/Mix)
    • Extra Strength Asa 500mg
    • Aspirin USP (3080)
    • Asa-650 Comprimes Retard
    • Asa-325 Comprimes Retard
    • Acetylsalicylic acid, 99%
    • Soma Compound (Salt/Mix)
    • Percodan Demi (Salt/Mix)
    • Epitope ID:114151
    • Coated Daily Low-dose Asa
    • Berkley and Jensen Aspirin
    • Aspirin Low Strength Adult
    • Aspirin Adult Low Strength
    • Adult Low Strength Aspirin
    • Aspirin 81mg Quick Chews
    • Aspirin 81 Mg Low Dose
    • Relief Asa Extra Strength
    • Plus Pharma Nsaid Aspirin
    • Low Dose Chewable Aspirin
    • Childrens Chewable Aspirin
    • Chewable Low Dose Aspirin
    • Chewable Aspirin Low Dose
    • Bayer Plus Extra Strength
    • Aspirin Tab 325mg USP
    • Aspirin Low Dose Chewable
    • Aspirin Chewable Low Dose
    • Salycylacetylsalicylic acid
    • Health Sense Aspirin 81
    • Asa EC 80
    • Entrophen 325mg Tablets
    • Entrophen 325mg Caplets
    • Aspirin (JP17/USP)
    • Aspirin (JP15/USP)
    • Aspergum Orange 325 mg
    • Asa Suppositories 650mg
    • Asa Suppositories 150mg
    • Asa 80
    • Sunmark Aspirin Low Dose
    • M-asa 80 Mg Croquable
    • Solves - Aspirin Cherry
    • Pro-aas EC - 80
    • Euro-asa Chewable Tablet
    • Pharbest Aspirin 325mg
    • Bufferin Extra -strength
    • Salicylic acid, acetyl-
    • Regular Strength Aspirin
    • Medi First Plus Aspirin
    • Leader Low Dose Aspirin
    • Ecotrin Regular Strength
    • Aspirin Regular Strength
    • Aspirin Chewable Tablets
    • Asa Acetylsalicylic Acid
    • Asa 975 Tab
    • Coated Aspirin Low-dose
    • Aspirin Tablets 325mg
    • Jamp-A.S.A.
    • ASPIRIN MAGNESIUM
    • PHL-asa E.C.
    • Bayer Enteric 500 mg Arthritis Strength
    • Aspirin Adult Low Dose
    • Apo Asa Tab 325mg
    • Adult Low Dose Aspirin
    • 2-Acetylsalicyclic acid
    • Healthy Accents Aspirin
    • Equate Aspirin Chewable
    • Enteric Coated A.S.a
    • Bayer Enteric 81 mg Adult Low Strength
    • Bayer
    • Tasprin
    • Persistin
    • Kapsazal
    • Endosprin
    • Acide acetylsalicylique
    • Acido acetilsalicilico
    • XAXA
    • Contrheuma retard
    • A.S.A. empirin
    • Dolean pH 8
    • Acetilsalicilico
    • Solprin
    • Acetilum acidulatum
    • Delgesic
    • Acimetten
    • Bi-prin
    • Spira-Dine
    • ZORprin
    • Acidum acetylsalicylicum
    • Triple-sal
    • Acetosalic acid
    • Yasta
    • Novid
    • Aspec
    • Solfrin
    • Rhonal
    • Pirseal
    • Levius
    • Idragin
    • Helicon
    • Globoid
    • Extren
    • Duramax
    • Decaten
    • Cemirit
    • Asteric
    • Asagran
    • Acisal
    • Acesal
    • Solpyron
    • Salacetin
    • Neuronika
    • Measurin
    • Globentyl
    • Entrophen
    • Enterophen
    • Entericin
    • Clariprin
    • Claradin
    • Bufferin
    • Bialpirinia
    • Bialpirina
    • Aspirine
    • Acetylsal
    • Acetisal
    • Enterosarine
    • o-Carboxyphenyl acetate
    • Salicylic acid acetate
    • Rheumintabletten
    • Ecolen
    • Aspro
    • Adiro
    • Temperal
    • Saletin
    • Endydol
    • Empirin
    • Benaspir
    • Acetylin
    • Acetonyl
    • Aceticyl
    • Salcetogen
    • Premaspin
    • Pharmacin
    • Micristin
    • Enterosarein
    • Aspirdrops
    • Acetosalin
    • Solprin acid
    • Rhodine
    • Colfarit
    • Aspergum
    • o-Acetoxybenzoic acid
    • O-Acetylsalicylic acid
    • Polopiryna
    • Easprin
    • Acylpyrin
    • Acetosal
    • Acetophen
    • Acenterine
    • Acetylsalicylate
    • Ecotrin
    • 50-78-2
    • 2-Acetoxybenzoic acid
    • ACETYLSALICYLIC ACID
    • aspirin

Aspirin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of aspirin?
C9H8O4
How many atoms and what are the elements included the aspirin molecule?
21 atom(s) - 8 Hydrogen atom(s), 9 Carbon atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the aspirin structure?
21 bond(s) - 13 non-H bond(s), 8 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aromatic), 1 ester(s) (aliphatic), and 1 hydroxyl group(s)
What’s the aspirin’s molecular weight?
180.15742 g/mol
What’s the SMILES code of aspirin?
CC(=O)Oc1ccccc1C(O)=O
What’s the InChI string of aspirin?
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
What’s the InChIKey code of aspirin?
BSYNRYMUTXBXSQ-UHFFFAOYSA-N