Molecule ID: 54723877

IUPAC Name: 3,4-dicarboxybenzene-1,2-diolate

Description: The molecule is dicarboxylate anion of 3,4-dihydroxyphthalic acid; major species at pH 7.3. It derives from a phthalate(2-). It is a conjugate base of a 3,4-dihydroxyphthalic acid.

SMILES: O=C(O)c1ccc([O-])c([O-])c1C(=O)O

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O-1][C][Branch1][C][O-1][=C][Ring1][Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H6O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)/p-2

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 2.1