Molecule ID: 811

IUPAC Name: 2-methylidenebutanedioic acid

Description: The molecule is a dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group. It has a role as a fungal metabolite and a human metabolite. It is a dicarboxylic acid and an olefinic compound. It derives from a succinic acid. It is a conjugate acid of an itaconate(2-).

SMILES: C=C(CC(=O)O)C(=O)O

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

InChI: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -0.1