Molecule ID: 146672236

IUPAC Name: 2-chloro-6-hexanoyl-3,5-dihydroxyphenolate

Description: The molecule is a phenolate anion resulting from the removal of a proton from the phenolic hydroxy group of (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. It is the major species at pH 7.3. It is a conjugate base of a (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one.

SMILES: CCCCCC(=O)c1c([O-])cc(O)c(Cl)c1O

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

InChI: InChI=1S/C12H15ClO4/c1-2-3-4-5-7(14)10-8(15)6-9(16)11(13)12(10)17/h6,15-17H,2-5H2,1H3/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 4.3