3-Styrenesulfonic acid

HCID 4080429
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Basic information

CAS
46060-58-6
Standard SMILES
C=Cc1cccc(S(=O)(=O)O)c1
InChIKey
ATBDZSAENDYQDW-UHFFFAOYSA-N
Molecular formula
C8H8O3S
Average molar mass
184.21 g/mol

Names & identifiers

Preferred name
3-Styrenesulfonic acid
IUPAC
3-ethenylbenzenesulfonic acid

Names & synonyms

3-Styrenesulfonic acidBenzenesulfonic acid, 3-ethenyl-UNII-18MXK3D6DB18MXK3D6DB46060-58-6styrene-3-sulphonic acidSCHEMBL166227SCHEMBL29362912ATBDZSAENDYQDW-UHFFFAOYSA-NQ27252013

Database identifiers

CAS
46060-58-6
PubChem CID
4080429
UNII
18MXK3D6DB

Properties

Computed structural propertiesFilling in

XLogP
1.4
Topological polar surface area
62.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Related reactions

1 records
New reaction record

Compound notes

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