Cas no 7164-08-1 (bicyclo[3.2.2]nona-6,8-diene)

bicyclo[3.2.2]nona-6,8-diene structure
bicyclo[3.2.2]nona-6,8-diene structure
Product Name:bicyclo[3.2.2]nona-6,8-diene
CAS No:7164-08-1
MF:C9H12
MW:120.191582679749
CID:976630
PubChem ID:138952
Update Time:2025-04-19

bicyclo[3.2.2]nona-6,8-diene Chemical and Physical Properties

Names and Identifiers

    • bicyclo[3.2.2]nona-6,8-diene
    • Bicyclo(3.2.2)nona-6,8-diene; Bicyclo[3.2.2]nona-6,8-diene
    • 7164-08-1
    • DTXSID50221884
    • Bicyclo(3.2.2)nona-6,8-diene
    • Inchi: 1S/C9H12/c1-2-8-4-6-9(3-1)7-5-8/h4-9H,1-3H2
    • InChI Key: SSAZIYAFEXRJHA-UHFFFAOYSA-N
    • SMILES: C12C=CC(C=C1)CCC2

Computed Properties

  • Exact Mass: 120.09396
  • Monoisotopic Mass: 120.093900383g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 123
  • 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: 3.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.944
  • Boiling Point: 168.1°C at 760 mmHg
  • Flash Point: 33.1°C
  • Refractive Index: 1.521
  • PSA: 0
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