Molecule ID: 135912260

IUPAC Name: 5-[(E)-3-carboxy-3-oxoprop-1-enyl]-4-oxido-6-oxo-1H-pyridine-2-carboxylate

Description: The molecule is dicarboxylate anion of 5-(3-carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylic acid; major species at pH 7.3. It is a conjugate base of a 5-(3-carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylic acid.

SMILES: O=C(O)C(=O)/C=C/c1c([O-])cc(C(=O)O)nc1[O-]

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

InChI: InChI=1S/C10H7NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h1-3H,(H,15,16)(H,17,18)(H2,11,13,14)/p-2/b2-1+

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: 0.4