Molecule ID: 18706098

IUPAC Name: 2-hydroxy-2-methyl-4-oxopentanedioate

Description: The molecule is the dicarboxylic acid dianion resulting from deprotonation of both carboxy groups of 4-hydroxy-4-methyl-2-oxoglutaric acid; major species at pH 7.3. It is a dicarboxylic acid dianion and an oxo carboxylic acid anion. It is a conjugate base of a 4-hydroxy-4-methyl-2-oxoglutaric acid.

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

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

InChI: InChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)/p-2

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 0.0