Molecule ID: 4645224

IUPAC Name: 2-carboxybenzoate

Description: The molecule is a phthalate that is the conjugate base of phthalic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of a phthalic acid. It is a conjugate acid of a phthalate(2-).

SMILES: O=C([O-])c1ccccc1C(=O)O

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

InChI: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 1.4