Molecule ID: 439978

IUPAC Name: 2-hydroxy-2-propylbutanedioic acid

Description: The molecule is a dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by a propyl group. It is a dicarboxylic acid, a 3-hydroxy carboxylic acid and a 2-hydroxy carboxylic acid. It derives from a succinic acid.

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

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

InChI: InChI=1S/C7H12O5/c1-2-3-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: -0.3