Molecule ID: 9543063

IUPAC Name: (E)-4-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-oxobut-3-enoic acid

Description: The molecule is a 2-oxo monocarboxylic acid that results from the formal aldol condensation of the methyl group of pyruvic acid with the aldehyde group of 2-hydroxy-4-(hydroxymethyl)benzaldehyde. It is a 2-oxo monocarboxylic acid, a member of phenols and an aromatic primary alcohol. It derives from a pyruvic acid.

SMILES: O=C(O)C(=O)/C=C/c1ccc(CO)cc1O

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][O]

InChI: InChI=1S/C11H10O5/c12-6-7-1-2-8(10(14)5-7)3-4-9(13)11(15)16/h1-5,12,14H,6H2,(H,15,16)/b4-3+

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 0.5