2-Cyclohexen-1-one, 6-(phenylmethylene)-
Basic information
- CAS
474744-83-7- Standard SMILES
O=C1C=CCCC1=Cc1ccccc1- InChIKey
CZJKWOZAWZLOBF-UHFFFAOYSA-N- Molecular formula
- C13H12O
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.088815
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 6-(phenylmethylene)-
- IUPAC
- 6-benzylidenecyclohex-2-en-1-one
Names & synonyms
2-Cyclohexen-1-one, 6-(phenylmethylene)-474744-83-76-benzylidenecyclohex-2-en-1-oneDTXSID503211316-[1-Phenyl-methylidene]-cyclohex-2-enone
Database identifiers
- CAS
474744-83-7- PubChem CID
- 340339
- DTXSID
DTXSID50321131
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
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Compound notes
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