Molecule ID: 23615417

IUPAC Name: (E)-3-methoxycarbonylpent-2-enedioate

Description: The molecule is dianion of (2E)-3-(methoxycarbonyl)pent-2-enedioic acid arising from deprotonation of both carboxylic acid functions. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a (2E)-3-(methoxycarbonyl)pent-2-enedioic acid.

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

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

InChI: InChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/p-2/b4-2+

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 0.7