Cas no 54669-76-0 (Cyclopentanone, 2-(2-oxo-2-phenylethyl)-)

Cyclopentanone, 2-(2-oxo-2-phenylethyl)- structure
54669-76-0 structure
Product Name:Cyclopentanone, 2-(2-oxo-2-phenylethyl)-
CAS No:54669-76-0
MF:C13H14O2
MW:202.249063968658
CID:353973
PubChem ID:10655725
Update Time:2025-04-19

Cyclopentanone, 2-(2-oxo-2-phenylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanone, 2-(2-oxo-2-phenylethyl)-
    • 2-phenacylcyclopentan-1-one
    • 54669-76-0
    • 2-Phenacyl-cyclopentanone
    • DTXSID60443050
    • SCHEMBL11838776
    • 2-phenacylcyclopentanone
    • ROUKPIDVWDJREO-UHFFFAOYSA-N
    • Inchi: 1S/C13H14O2/c14-12-8-4-7-11(12)9-13(15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
    • InChI Key: ROUKPIDVWDJREO-UHFFFAOYSA-N
    • SMILES: O=C1CCCC1CC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 202.09942
  • Monoisotopic Mass: 202.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 251
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
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