Molecule ID: 25200593

IUPAC Name: 2-hydroxy-3-(2-methylidenecyclopropyl)butanedioic acid

Description: The molecule is a 2-hydroxydicarboxylic acid that is malic acid in which one of the methylene hydrogens at position 3 has been replaced by a methylidenecyclopropyl group. It has a role as a plant metabolite. It is a 2-hydroxydicarboxylic acid, a member of cyclopropanes and an olefinic compound. It derives from a malic acid.

SMILES: C=C1CC1C(C(=O)O)C(O)C(=O)O

SELFIES: [C][=C][C][C][Ring1][Ring1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H10O5/c1-3-2-4(3)5(7(10)11)6(9)8(12)13/h4-6,9H,1-2H2,(H,10,11)(H,12,13)

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: -0.7