Cas no 58337-94-3 (2-Propanone, 1-(2-benzoylcyclohexyl)-)

2-Propanone, 1-(2-benzoylcyclohexyl)- structure
58337-94-3 structure
Product Name:2-Propanone, 1-(2-benzoylcyclohexyl)-
CAS No:58337-94-3
MF:C16H20O2
MW:244.328804969788
CID:342427
PubChem ID:71443654
Update Time:2025-04-19

2-Propanone, 1-(2-benzoylcyclohexyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propanone, 1-(2-benzoylcyclohexyl)-
    • 1-(2-benzoylcyclohexyl)propan-2-one
    • DTXSID40852469
    • 58337-94-3
    • Inchi： 1S/C16H20O2/c1-12(17)11-14-9-5-6-10-15(14)16(18)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11H2,1H3
    • InChI Key： VGTLLILBANDNAU-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC=CC=1)C1CCCCC1CC(C)=O

Computed Properties

  • Exact Mass: 244.1464
  • Monoisotopic Mass: 244.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 302
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

2-Propanone, 1-(2-benzoylcyclohexyl)- Related Literature

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