2,5-Cyclohexadien-1-one, 4-(acetyloxy)-4-phenyl-
Basic information
- CAS
98355-34-1- Standard SMILES
CC(=O)OC1(c2ccccc2)C=CC(=O)C=C1- InChIKey
SFVKDGDACULKBT-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 4-(acetyloxy)-4-phenyl-
- IUPAC
- (4-oxo-1-phenylcyclohexa-2,5-dien-1-yl) acetate
Names & synonyms
2,5-Cyclohexadien-1-one, 4-(acetyloxy)-4-phenyl-98355-34-1SCHEMBL3738879DTXSID40333107SFVKDGDACULKBT-UHFFFAOYSA-N4-Oxo[1,1'-biphenyl]-1(4H)-yl acetate4-acetoxy-4-phenyl-2,5-cyclohexadien-1-one(4-oxo-1-phenyl-cyclohexa-2,5-dien-1-yl) acetateAcetic acid 4-oxo-1-phenyl-cyclohexa-2,5-dienyl ester
Database identifiers
- CAS
98355-34-1- PubChem CID
- 482702
- DTXSID
DTXSID40333107- Nikkaji
- J2.071.020I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Related reactions
2 records
Compound notes
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