Molecule ID: 7257940

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

Description: The molecule is a dicarboxylic acid dianion that is the conjugate base of mesaconic acid. It has a role as a human metabolite and a plant metabolite. It derives from a fumarate(2-). It is a conjugate base of a mesaconic acid.

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

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

InChI: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/p-2/b3-2+

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: 1.2