Cas no 54787-00-7 (Bicyclo[3.3.1]nonane-2-carboxaldehyde)

Bicyclo[3.3.1]nonane-2-carboxaldehyde structure
54787-00-7 structure
Product Name:Bicyclo[3.3.1]nonane-2-carboxaldehyde
CAS No:54787-00-7
MF:C10H16O
MW:152.233443260193
CID:353673
PubChem ID:20061053
Update Time:2025-04-19

Bicyclo[3.3.1]nonane-2-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.3.1]nonane-2-carboxaldehyde
    • bicyclo[3.3.1]nonane-4-carbaldehyde
    • DTXSID70602010
    • SCHEMBL9877756
    • Bicyclo[3.3.1]nonane-2-carbaldehyde
    • 54787-00-7
    • Inchi: 1S/C10H16O/c11-7-10-5-4-8-2-1-3-9(10)6-8/h7-10H,1-6H2
    • InChI Key: BRAXXURPTXSRSZ-UHFFFAOYSA-N
    • SMILES: O=CC1CCC2CCCC1C2

Computed Properties

  • Exact Mass: 152.12018
  • Monoisotopic Mass: 152.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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