Molecule ID: 21954611

IUPAC Name: (Z)-2-propan-2-ylbut-2-enedioate

Description: The molecule is dicarboxylate anion of 2-isopropylmaleic acid; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 2-isopropylmaleic acid.

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

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

InChI: InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)/p-2/b5-3-

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: 2.0