Cas no 89242-97-7 (1-Heptadecanone, 1-(3-pyridinyl)-)

1-Heptadecanone, 1-(3-pyridinyl)- structure
89242-97-7 structure
Product Name:1-Heptadecanone, 1-(3-pyridinyl)-
CAS No:89242-97-7
MF:C22H37NO
MW:331.535286664963
CID:607057
PubChem ID:71323055
Update Time:2025-04-19

1-Heptadecanone, 1-(3-pyridinyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Heptadecanone, 1-(3-pyridinyl)-
    • 1-pyridin-3-ylheptadecan-1-one
    • 1-(PYRIDIN-3-YL)HEPTADECAN-1-ONE
    • 89242-97-7
    • DTXSID60752674
    • Inchi: 1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(24)21-17-16-19-23-20-21/h16-17,19-20H,2-15,18H2,1H3
    • InChI Key: IXHPIWPSTYDUJB-UHFFFAOYSA-N
    • SMILES: O=C(C1C=NC=CC=1)CCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 331.287514804g/mol
  • Monoisotopic Mass: 331.287514804g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 16
  • Complexity: 290
  • 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: 8.3
  • Topological Polar Surface Area: 30?2
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