Molecule ID: 444972

IUPAC Name: (E)-but-2-enedioic acid

Description: The molecule is a butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle. It has a role as a food acidity regulator and a fundamental metabolite. It is a conjugate acid of a fumarate(1-).

SMILES: O=C(O)/C=C/C(=O)O

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

InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -0.3