Molecule ID: 5478893

IUPAC Name: (E)-2,6-dioxo-6-phenylhex-3-enoic acid

Description: The molecule is a dioxo monocarboxylic acid that is 6-phenylhexa-3-enoic acid bearing oxo substituents at position3 2 and 6. It is a dioxo monocarboxylic acid, an enone and an aromatic ketone. It is a conjugate base of a 2,6-dioxo-6-phenylhexa-3-enoate(1-). It is a tautomer of a 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid.

SMILES: O=C(O)C(=O)/C=C/CC(=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/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)/b8-4+

Molecular Properties:
- Polar Surface Area: 71.4 Ų
- LogP: 1.4