Cas no 62821-20-9 (Bicyclo[3.3.1]nonane-9,9-dicarboxylic acid)

Bicyclo[3.3.1]nonane-9,9-dicarboxylic acid structure
62821-20-9 structure
Product Name:Bicyclo[3.3.1]nonane-9,9-dicarboxylic acid
CAS No:62821-20-9
MF:C11H16O4
MW:212.242343902588
CID:430442
PubChem ID:71382465
Update Time:2025-04-19

Bicyclo[3.3.1]nonane-9,9-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.3.1]nonane-9,9-dicarboxylic acid
    • Bicyclo[3,3,1]nonan-9,9-dicarbonsaeure
    • 62821-20-9
    • DTXSID00804843
    • Inchi： 1S/C11H16O4/c12-9(13)11(10(14)15)7-3-1-4-8(11)6-2-5-7/h7-8H,1-6H2,(H,12,13)(H,14,15)
    • InChI Key： JAMRXUHUFZCKQI-UHFFFAOYSA-N
    • SMILES： OC(C1(C(=O)O)C2CCCC1CCC2)=O

Computed Properties

  • Exact Mass: 212.10500
  • Monoisotopic Mass: 212.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 259
  • 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: 2.7
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.60000
  • LogP: 1.74220

Bicyclo[3.3.1]nonane-9,9-dicarboxylic acid Related Literature

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