Molecule ID: 440223

IUPAC Name: 2-(hydroxymethyl)-4-oxobutanoic acid

Description: The molecule is a 4-oxo monocarboxylic acid that is 4-oxobutanoic acid which is substituted by a hydroxymethyl group at position 2. It is a 4-oxo monocarboxylic acid, a 3-hydroxy monocarboxylic acid and an alpha-CH2-containing aldehyde. It derives from a butyric acid. It is a conjugate acid of a 2-(hydroxymethyl)-4-oxobutanoate.

SMILES: O=CCC(CO)C(=O)O

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

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

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -1.5