Cas no 502509-14-0 (null)

null structure
null structure
Product Name:null
CAS No:502509-14-0
MF:C9H11NO2
MW:165.189142465591
CID:933425
PubChem ID:45086330
Update Time:2025-04-19

null Chemical and Physical Properties

Names and Identifiers

    • null
    • LogP
    • Ethanone, 1-[4-(2-hydroxyethyl)-2-pyridinyl]- (9CI)
    • DTXSID10964543
    • 1-[4-(2-Hydroxyethyl)pyridin-2-yl]ethan-1-one
    • 502509-14-0
    • SCHEMBL13813279
    • Inchi: 1S/C9H11NO2/c1-7(12)9-6-8(3-5-11)2-4-10-9/h2,4,6,11H,3,5H2,1H3
    • InChI Key: GJGLFVMFYQRLIG-UHFFFAOYSA-N
    • SMILES: OCCC1C=CN=C(C(C)=O)C=1

Computed Properties

  • Exact Mass: 165.07903
  • Monoisotopic Mass: 165.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 159
  • 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: 0.4
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19
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