Cas no 29800-55-3 (Bicyclo[6.1.0]nonan-2-one)

Bicyclo[6.1.0]nonan-2-one structure
Bicyclo[6.1.0]nonan-2-one structure
Product Name:Bicyclo[6.1.0]nonan-2-one
CAS No:29800-55-3
MF:C9H14O
MW:138.206862926483
CID:289411
PubChem ID:300296
Update Time:2025-04-19

Bicyclo[6.1.0]nonan-2-one Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[6.1.0]nonan-2-one
    • bicyclo[6.1.0]nonan-7-one
    • AC1L6W0F
    • AG-E-97217
    • Bicyclo< 6.1.0> nonan-2-on
    • bicyclo< 6.1.0> nonan-2-one
    • Bicyclo-< 6.1.0> -nonanon-(1)
    • Bicyclo< 6.1.0> nonanon-2
    • cis-Bicyclo< 6.1.0> nonan-2-on
    • CTK1A7542
    • NSC174645
    • trans-Bicyclo< 6.1.0> nonan-2-on
    • NSC-174645
    • DTXSID60306212
    • 29800-55-3
    • Inchi: 1S/C9H14O/c10-9-5-3-1-2-4-7-6-8(7)9/h7-8H,1-6H2
    • InChI Key: ILBLIHIMMWSJSC-UHFFFAOYSA-N
    • SMILES: O=C1CCCCCC2CC21

Computed Properties

  • Exact Mass: 138.10452
  • Monoisotopic Mass: 138.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.007
  • Boiling Point: 219.8°Cat760mmHg
  • Flash Point: 79.6°C
  • Refractive Index: 1.49
  • PSA: 17.07
  • LogP: 2.15570

Bicyclo[6.1.0]nonan-2-one Related Literature

  • 1. Hydrodehalogenation of 1,1-dibromocyclopropanes by Grignard reagents promoted by titanium compounds
    Juma’a R. Al Dulayymi,Mark S. Baird,Ivan G. Bolesov,Alexey V. Nizovtsev,Viacheslav V. Tverezovsky J. Chem. Soc. Perkin Trans. 2 2000 1603
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