Molecule ID: 71627171

IUPAC Name: 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-oxopropanoate

Description: The molecule is a 2-oxo monocarboxylic acid anion that is the conjugate base of 3-dimethylallyl-4-hydroxyphenylpyruvic acid. It derives from a pyruvate. It is a conjugate base of a 3-dimethylallyl-4-hydroxyphenylpyruvic acid.

SMILES: CC(C)=CCc1cc(CC(=O)C(=O)O)ccc1[O-]

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

InChI: InChI=1S/C14H16O4/c1-9(2)3-5-11-7-10(4-6-12(11)15)8-13(16)14(17)18/h3-4,6-7,15H,5,8H2,1-2H3,(H,17,18)/p-1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 3.5