Cyclohexanone, 2-benzoyl-, (2S)-
Basic information
- CAS
832712-03-5- Standard SMILES
O=C1CCCC[C@@H]1C(=O)c1ccccc1- InChIKey
YTVQIZRDLKWECQ-NSHDSACASA-N- Molecular formula
- C13H14O2
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.09937969
Names & identifiers
- Preferred name
- Cyclohexanone, 2-benzoyl-, (2S)-
- IUPAC
- (2S)-2-benzoylcyclohexan-1-one
Names & synonyms
Cyclohexanone, 2-benzoyl-, (2S)-(2S)-2-benzoylcyclohexan-1-one832712-03-5(R,S)-2-Benzoyl-cyclohexanoneDTXSID50351599
Database identifiers
- CAS
832712-03-5- PubChem CID
- 704480
- DTXSID
DTXSID50351599
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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