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Methanesulfonic acid

CAT: 0063-90005055-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0063-90005055-25gSize:25 g
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CAS Number
75-75-2
Molecular Formula
CH3SO3H
Molecular Weight
96.11
Formulation
CH3SO3H

Chemical Information

Methanesulfonic Acid

Methanesulfonic acid is an alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl. It has a role as an Escherichia coli metabolite. It is an alkanesulfonic acid and a one-carbon compound. It is a conjugate acid of a methanesulfonate.

CAS Number75-75-2
PubChem CID6395
IUPAC Namemethanesulfonic acid
Molecular FormulaCH4O3S
Molecular Weight96.11
XLogP-0.9
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity92
SMILES
CS(=O)(=O)O
InChI
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKey
AFVFQIVMOAPDHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanesulfonic Acid
CAS: 75-75-2
CID: 6395
Formula: CH4O3S
MW: 96.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.11
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass95.98811516
Monoisotopic Mass95.98811516
Topological Polar Surface Area62.8 Ų
Heavy Atom Count5
Formal Charge0
Complexity92.6
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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