2-Hydroxy-5-sulfinobenzoic acid

HCID 248902

Notes Reactions

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Basic information

CAS: 19479-88-0
Standard SMILES: O=C(O)c1cc(S(=O)O)ccc1O
InChIKey: CFYDCJCXEBLVGT-UHFFFAOYSA-N
Molecular formula: C7H6O5S
Average molar mass: 202.19 g/mol
Monoisotopic mass: 201.99359446

Names & identifiers

Preferred name: 2-Hydroxy-5-sulfinobenzoic acid
IUPAC: 2-hydroxy-5-sulfinobenzoic acid
English name: 2-Hydroxy-5-sulfinobenzoic acid
Molecular formula: C7H6O5S
Molecular weight: 202.18

Names & synonyms

2-hydroxy-5-sulfinobenzoic acid19479-88-0NSC66503SCHEMBL4424022DTXSID302900932-Hydroxy-5-sulfino-benzoic acidCFYDCJCXEBLVGT-UHFFFAOYSA-NNSC-665035-sulfinylsalicylic acidBenzoic acid, 2-hydroxy-5-sulfino-

Database identifiers

CAS: 19479-88-0
PubChem CID: 248902
DTXSID: DTXSID30290093
Nikkaji: J25.877F

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 114 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 229

Related reactions

6 records

New reaction record

HRID 101474As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1820791As productuspto-grants-2009_10

HRID 1820792As reactantuspto-grants-2009_10

HRID 2251247As productuspto-grants-2008_01

HRID 2251248As reactantuspto-grants-2008_01

HRID 2335576As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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