Cas no 56741-23-2 (3-Nonanone, 1-phenyl-)

3-Nonanone, 1-phenyl- structure
3-Nonanone, 1-phenyl- structure
Product Name:3-Nonanone, 1-phenyl-
CAS No:56741-23-2
MF:C15H22O
MW:218.334584712982
CID:347988
PubChem ID:11424519
Update Time:2025-04-19

3-Nonanone, 1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Nonanone, 1-phenyl-
    • 1-phenylnonan-3-one
    • QQSUQZXKESWTCP-UHFFFAOYSA-N
    • DTXSID50465443
    • SCHEMBL4392253
    • 1-phenyl-3-nonanone
    • Q63399045
    • AKOS011914541
    • 56741-23-2
    • Inchi: 1S/C15H22O/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
    • InChI Key: QQSUQZXKESWTCP-UHFFFAOYSA-N
    • SMILES: O=C(CCC1C=CC=CC=1)CCCCCC

Computed Properties

  • Exact Mass: 218.16716
  • Monoisotopic Mass: 218.167065321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 8
  • Complexity: 180
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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