2-Phenylethenesulfonic acid

HCID 74864
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Basic information

CAS
2039-45-4
Standard SMILES
O=S(=O)(O)C=Cc1ccccc1
InChIKey
AGBXYHCHUYARJY-UHFFFAOYSA-N
Molecular formula
C8H8O3S
Average molar mass
184.21 g/mol
Monoisotopic mass
184.01941529

Names & identifiers

Preferred name
2-Phenylethenesulfonic acid
IUPAC
2-phenylethenesulfonic acid

Names & synonyms

2-phenylethenesulfonic acid2039-45-4DTXSID80275734RefChem:265345DTXCID30227127styrene sulfonic acidhydrogen styrene sulfonateSCHEMBL15001SCHEMBL8722466SCHEMBL10413164SCHEMBL11807237AGBXYHCHUYARJY-UHFFFAOYSA-N

Database identifiers

CAS
2039-45-4
PubChem CID
74864
DTXSID
DTXSID80275734

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
62.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Related reactions

3 records
New reaction record

Compound notes

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