Molecule ID: 1110

IUPAC Name: butanedioic acid

Description: The molecule is an alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. It has a role as a nutraceutical, a radiation protective agent, an anti-ulcer drug, a micronutrient and a fundamental metabolite. It is an alpha,omega-dicarboxylic acid and a C4-dicarboxylic acid. It is a conjugate acid of a succinate(1-).

SMILES: O=C(O)CCC(=O)O

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

InChI: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -0.6