3-[(3-Carboxyphenyl)sulfinyl]benzenecarboxylic acid

HCID 4275437
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Basic information

Standard SMILES
O=C(O)c1cccc(S(=O)c2cccc(C(=O)O)c2)c1
InChIKey
MHHHKSFEQMVGJA-UHFFFAOYSA-N
Molecular formula
C14H10O5S
Average molar mass
290.29 g/mol

Names & identifiers

Preferred name
3-[(3-Carboxyphenyl)sulfinyl]benzenecarboxylic acid
IUPAC
3-(3-carboxyphenyl)sulfinylbenzoic acid

Names & synonyms

SCHEMBL1447598MHHHKSFEQMVGJA-UHFFFAOYSA-N3-[(3-carboxyphenyl)sulfinyl]benzenecarboxylic acid

Database identifiers

PubChem CID
4275437

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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