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Benzenesulphonic Acid 88% Technical "Store

CAT: 1507-0371H 00100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1507-0371H 00100Size:100 mg
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CAS Number
98-11-3
HSN Code
29041090

Chemical Information

Benzenesulfonic Acid

Benzenesulfonic acid is the simplest member of the class of a benzenesulfonic acids that consists of a benzene carrying a single sulfo group. It is a conjugate acid of a benzenesulfonate.

CAS Number98-11-3
PubChem CID7371
IUPAC Namebenzenesulfonic acid
Molecular FormulaC6H6O3S
Molecular Weight158.18
XLogP0
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity184
SMILES
C1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
InChIKey
SRSXLGNVWSONIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenesulfonic Acid
CAS: 98-11-3
CID: 7371
Formula: C6H6O3S
MW: 158.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.18
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass158.00376522
Monoisotopic Mass158.00376522
Topological Polar Surface Area62.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity184
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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