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Ethanesulfonic acid

CAT: 0024-sc-239864Size: 5 gDry Ice: NoHazardous: No
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CAS Number
594-45-6

Chemical Information

Ethanesulfonic acid

Ethanesulfonic acid is an alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is ethyl. It is a conjugate acid of an ethanesulfonate.

CAS Number594-45-6
PubChem CID11668
IUPAC Nameethanesulfonic acid
Molecular FormulaC2H6O3S
Molecular Weight110.13
XLogP-0.5
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity105
SMILES
CCS(=O)(=O)O
InChI
InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKey
CCIVGXIOQKPBKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanesulfonic acid
CAS: 594-45-6
CID: 11668
Formula: C2H6O3S
MW: 110.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.13
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass110.00376522
Monoisotopic Mass110.00376522
Topological Polar Surface Area62.8 Ų
Heavy Atom Count6
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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