Cas no 68198-31-2 (Cycloheptanone, 4-(phenylmethoxy)-)

Cycloheptanone, 4-(phenylmethoxy)- structure
68198-31-2 structure
Product Name:Cycloheptanone, 4-(phenylmethoxy)-
CAS No:68198-31-2
MF:C14H18O2
MW:218.291524410248
CID:1734081
PubChem ID:12512706
Update Time:2025-04-21

Cycloheptanone, 4-(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • 4-(BENZYLOXY)CYCLOHEPTANONE
    • 4-phenylmethoxycycloheptan-1-one
    • Cycloheptanone, 4-(phenylmethoxy)-
    • 68198-31-2
    • SCHEMBL420469
    • DTXSID50500924
    • DA-03657
    • 4-(Benzyloxy)cycloheptan-1-one
    • Inchi: 1S/C14H18O2/c15-13-7-4-8-14(10-9-13)16-11-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2
    • InChI Key: YBNKHAYZJGDPKP-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1CCC(CCC1)=O

Computed Properties

  • Exact Mass: 218.130679813g/mol
  • Monoisotopic Mass: 218.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 219
  • 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: 2.2
  • Topological Polar Surface Area: 26.3?2
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