Molecule ID: 513

IUPAC Name: 3-hydroxybutane-1,2,3-tricarboxylic acid

Description: The molecule is a tricarboxylic acid that is butan-2-ol in which a hydrogen from each of positions 2, 3, and 4 has been replaced by carboxy groups. It is a tricarboxylic acid, a methylisocitric acid and a tertiary alcohol. It is a conjugate acid of a 3-hydroxybutane-1,2,3-tricarboxylate.

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

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

InChI: InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -1.6