(4-Hydroxy-phenyl)-sulfo-acetic acid

HCID 3373694
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Basic information

CAS
64369-82-0
Standard SMILES
O=C(O)C(c1ccc(O)cc1)S(=O)(=O)O
InChIKey
YTXVNJRADGDCMO-UHFFFAOYSA-N
Molecular formula
C8H8O6S
Average molar mass
232.21 g/mol
Monoisotopic mass
232.00415914

Names & identifiers

Preferred name
(4-Hydroxy-phenyl)-sulfo-acetic acid
IUPAC
2-(4-hydroxyphenyl)-2-sulfoacetic acid

Names & synonyms

CHEMBL451544(4-Hydroxy-phenyl)-sulfo-acetic acidSCHEMBL7898010YTXVNJRADGDCMO-UHFFFAOYSA-NDTXSID901292540(4-Hydroxyphenyl)(sulfo)acetic acidBDBM50113758alpha-Sulfo-4-hydroxybenzeneacetic acid4-Hydroxy-I+/--sulfobenzeneacetic acid64369-82-0

Database identifiers

CAS
64369-82-0
PubChem CID
3373694
DTXSID
DTXSID901292540
ChEMBL
CHEMBL451544
Nikkaji
J2.529.298G

Properties

Computed structural properties

XLogP
0
Topological polar surface area
120 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
15

Related reactions

5 records
New reaction record

Compound notes

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