Molecule ID: 5082939

IUPAC Name: 2-formylbenzoate

Description: The molecule is a benzoate anion arising from deprotonation of the carboxy group of 2-formylbenzoic acid; major species at pH 7.3. It has a role as a bacterial xenobiotic metabolite and a mouse metabolite. It is a member of benzoates and an aldehydic acid anion. It is a conjugate base of a 2-formylbenzoic acid.

SMILES: O=Cc1ccccc1C(=O)[O-]

SELFIES: [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 1.6