Molecule ID: 5460112

IUPAC Name: 2-hydroxy-3-propylbutanedioate

Description: The molecule is a dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 3-propylmalic acid. It derives from a benzoin. It is a conjugate base of a 3-propylmalic acid.

SMILES: CCCC(C(=O)[O-])C(O)C(=O)[O-]

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

InChI: InChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/p-2

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.4