Molecule ID: 440107

IUPAC Name: 2,6-dioxo-6-phenylhexanoic acid

Description: The molecule is a dioxo monocarboxylic acid consisting of 6-phenylhexanoic acid having the two oxo groups at the 2- and 6-positions. It derives from a hexanoic acid. It is a conjugate acid of a 2,6-dioxo-6-phenylhexanoate.

SMILES: O=C(O)C(=O)CCCC(=O)c1ccccc1

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

InChI: InChI=1S/C12H12O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-3,5-6H,4,7-8H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 71.4 Ų
- LogP: 1.3