Molecule ID: 5460307

IUPAC Name: (E)-but-2-enedioate

Description: The molecule is a C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-) It has a role as a metabolite, a human metabolite and a Saccharomyces cerevisiae metabolite. It is a butenedioate and a C4-dicarboxylate. It is a conjugate base of a fumarate(1-).

SMILES: O=C([O-])/C=C/C(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][/C][=C][/C][=Branch1][C][=O][O-1]

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

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: 1.0