Cas no 62821-19-6 (Bicyclo[3.2.2]nonane-6,6-dicarboxylic acid)

Bicyclo[3.2.2]nonane-6,6-dicarboxylic acid structure
62821-19-6 structure
Product Name:Bicyclo[3.2.2]nonane-6,6-dicarboxylic acid
CAS No:62821-19-6
MF:C11H16O4
MW:212.242343902588
CID:430443
PubChem ID:71382466
Update Time:2025-04-19

Bicyclo[3.2.2]nonane-6,6-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.2.2]nonane-6,6-dicarboxylic acid
    • 62821-19-6
    • DTXSID60804844
    • Inchi: 1S/C11H16O4/c12-9(13)11(10(14)15)6-7-2-1-3-8(11)5-4-7/h7-8H,1-6H2,(H,12,13)(H,14,15)
    • InChI Key: BIKVBDHGBDPJPO-UHFFFAOYSA-N
    • SMILES: OC(C1(C(=O)O)CC2CCCC1CC2)=O

Computed Properties

  • Exact Mass: 212.10488
  • 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: 283
  • 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: 2.5
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
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