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Structure of 3-(3-oxopropyl)benzene-1-sulfonic acid (C9H10O4S)

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2D chemical structure image of 3-(3-oxopropyl)benzene-1-sulfonic acid
Chemical Formula C9H10O4S
Molecular Weight 214.2383 g/mol
IUPAC Name 3-(3-oxopropyl)benzene-1-sulfonic acid
SMILES String OS(=O)(=O)c1cccc(CCC=O)c1
InChI InChI=1S/C9H10O4S/c10-6-2-4-8-3-1-5-9(7-8)14(11,12)13/h1,3,5-7H,2,4H2,(H,11,12,13)
InChIKey MCYZRBUGJMOHME-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 3-(3-oxopropyl)benzene-1-sulfonic acid molecule contains a total of 24 bond(s). There are 14 non-H bond(s), 9 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 aldehyde(s) (aliphatic), 1 hydroxyl group(s), and 1 sulfonic (thio-/dithio-) acid(s). Images of the chemical structure of 3-(3-oxopropyl)benzene-1-sulfonic acid are given below:

2D chemical structure image of 3-(3-oxopropyl)benzene-1-sulfonic acid
2-dimensional (2D) chemical structure image of 3-(3-oxopropyl)benzene-1-sulfonic acid
3D chemical structure image of 3-(3-oxopropyl)benzene-1-sulfonic acid
3-dimensional (3D) chemical structure image of 3-(3-oxopropyl)benzene-1-sulfonic acid

The 2D chemical structure image of 3-(3-oxopropyl)benzene-1-sulfonic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-(3-oxopropyl)benzene-1-sulfonic acid 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 3-(3-oxopropyl)benzene-1-sulfonic acid 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 3-(3-oxopropyl)benzene-1-sulfonic acid. 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 3-(3-oxopropyl)benzene-1-sulfonic acid is provided here.

The 3-(3-oxopropyl)benzene-1-sulfonic acid 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 3-(3-oxopropyl)benzene-1-sulfonic acid 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 3-(3-oxopropyl)benzene-1-sulfonic acid 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.


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  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying 3-(3-oxopropyl)benzene-1-sulfonic acid Molecule

  • Other names (synonyms) or registry numbers of 3-(3-oxopropyl)benzene-1-sulfonic acid

    The 3-(3-oxopropyl)benzene-1-sulfonic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-(3-oxopropyl)benzene-1-sulfonic acid including the various registry numbers, if available:



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3-(3-oxopropyl)benzene-1-sulfonic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-(3-oxopropyl)benzene-1-sulfonic acid?
C9H10O4S
How many atoms and what are the elements included the 3-(3-oxopropyl)benzene-1-sulfonic acid molecule?
24 atom(s) - 10 Hydrogen atom(s), 9 Carbon atom(s), 4 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the 3-(3-oxopropyl)benzene-1-sulfonic acid structure?
24 bond(s) - 14 non-H bond(s), 9 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 aldehyde(s) (aliphatic), 1 hydroxyl group(s), and 1 sulfonic (thio-/dithio-) acid(s)
What’s the 3-(3-oxopropyl)benzene-1-sulfonic acid’s molecular weight?
214.2383 g/mol
What’s the SMILES code of 3-(3-oxopropyl)benzene-1-sulfonic acid?
OS(=O)(=O)c1cccc(CCC=O)c1
What’s the InChI string of 3-(3-oxopropyl)benzene-1-sulfonic acid?
InChI=1S/C9H10O4S/c10-6-2-4-8-3-1-5-9(7-8)14(11,12)13/h1,3,5-7H,2,4H2,(H,11,12,13)
What’s the InChIKey code of 3-(3-oxopropyl)benzene-1-sulfonic acid?
MCYZRBUGJMOHME-UHFFFAOYSA-N