Cas no 19388-40-0 (Bicyclo[3.2.2]nonane-1-carboxylic acid)

Bicyclo[3.2.2]nonane-1-carboxylic acid structure
19388-40-0 structure
Product Name:Bicyclo[3.2.2]nonane-1-carboxylic acid
CAS No:19388-40-0
MF:C10H16O2
MW:168.232843399048
CID:1386642
PubChem ID:12757493
Update Time:2025-04-20

Bicyclo[3.2.2]nonane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.2.2]nonane-1-carboxylic acid
    • bicyclo[3.2.2]nonane-5-carboxylic acid
    • 19388-40-0
    • SCHEMBL15514903
    • DTXSID20509085
    • Inchi: 1S/C10H16O2/c11-9(12)10-5-1-2-8(3-6-10)4-7-10/h8H,1-7H2,(H,11,12)
    • InChI Key: LRHMIHFOCOIRAS-UHFFFAOYSA-N
    • SMILES: OC(C12CCCC(CC1)CC2)=O

Computed Properties

  • Exact Mass: 168.115029749g/mol
  • Monoisotopic Mass: 168.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 190
  • 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: 2.6
  • Topological Polar Surface Area: 37.3?2
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