Cas no 58821-46-8 (Oxazole, 4,5-dihydro-2-nonyl-)

Oxazole, 4,5-dihydro-2-nonyl- structure
Oxazole, 4,5-dihydro-2-nonyl- structure
Product Name:Oxazole, 4,5-dihydro-2-nonyl-
CAS No:58821-46-8
MF:C12H23NO
MW:197.317123651505
CID:340783
PubChem ID:11041711
Update Time:2025-04-19

Oxazole, 4,5-dihydro-2-nonyl- Chemical and Physical Properties

Names and Identifiers

    • Oxazole, 4,5-dihydro-2-nonyl-
    • 2-nonyl-4,5-dihydro-1,3-oxazole
    • SCHEMBL963256
    • 2-nonyl-2-oxazoline
    • DTXSID30453000
    • 58821-46-8
    • Inchi: 1S/C12H23NO/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h2-11H2,1H3
    • InChI Key: OQWAVMKUNIQCFD-UHFFFAOYSA-N
    • SMILES: O1CCN=C1CCCCCCCCC

Computed Properties

  • Exact Mass: 197.17809
  • Monoisotopic Mass: 197.177964357g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 166
  • 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: 3.9
  • Topological Polar Surface Area: 21.6?2

Experimental Properties

  • PSA: 21.59
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