Cas no 88974-62-3 ([1,1'-Bicyclohexyl]-2,3-dione)

[1,1'-Bicyclohexyl]-2,3-dione structure
[1,1'-Bicyclohexyl]-2,3-dione structure
Product Name:[1,1'-Bicyclohexyl]-2,3-dione
CAS No:88974-62-3
MF:C12H18O2
MW:194.270123958588
CID:617479
PubChem ID:12063558
Update Time:2025-04-19

[1,1'-Bicyclohexyl]-2,3-dione Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Bicyclohexyl]-2,3-dione
    • 3-cyclohexylcyclohexane-1,2-dione
    • DTXSID80476744
    • 88974-62-3
    • SCHEMBL8837292
    • Inchi: 1S/C12H18O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h9-10H,1-8H2
    • InChI Key: DYISEGDLFZUMBI-UHFFFAOYSA-N
    • SMILES: O=C1C(CCCC1C1CCCCC1)=O

Computed Properties

  • Exact Mass: 194.130679813g/mol
  • Monoisotopic Mass: 194.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 34.1?2
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