Molecule ID: 90659250

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

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of 3-dimethylallyl-4-hydroxymandelic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 3-dimethylallyl-4-hydroxymandelic acid.

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

SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][Branch1][#Branch2][C][Branch1][C][O][C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][O-1]

InChI: InChI=1S/C13H16O4/c1-8(2)3-4-9-7-10(5-6-11(9)14)12(15)13(16)17/h3,5-7,12,14-15H,4H2,1-2H3,(H,16,17)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 3.1