Molecule ID: 970

IUPAC Name: 2-oxobutanedioic acid

Description: The molecule is an oxodicarboxylic acid that is succinic acid bearing a single oxo group. It has a role as a metabolite. It is an oxo dicarboxylic acid and a C4-dicarboxylic acid. It derives from a succinic acid. It is a conjugate acid of an oxaloacetate(2-).

SMILES: O=C(O)CC(=O)C(=O)O

SELFIES: [O][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)

Molecular Properties:
- Polar Surface Area: 91.7 Ų
- LogP: -0.6