Molecule ID: 21145077

IUPAC Name: 2-(hydroxymethyl)-4-oxobutanoate

Description: The molecule is the conjugate base of 2-(hydroxymethyl)-4-oxobutanoic acid; major species at pH 7.3. It is a hydroxy monocarboxylic acid anion and a 4-oxo monocarboxylic acid anion. It is a conjugate base of a 2-(hydroxymethyl)-4-oxobutanoic acid.

SMILES: O=CCC(CO)C(=O)[O-]

SELFIES: [O][=C][C][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C5H8O4/c6-2-1-4(3-7)5(8)9/h2,4,7H,1,3H2,(H,8,9)/p-1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: -0.8