Cas no 62821-14-1 (Bicyclo[2.2.1]heptane-7,7-dicarboxylic acid)

Bicyclo[2.2.1]heptane-7,7-dicarboxylic acid structure
62821-14-1 structure
Product Name:Bicyclo[2.2.1]heptane-7,7-dicarboxylic acid
CAS No:62821-14-1
MF:C9H12O4
MW:184.189183235168
CID:430448
PubChem ID:58668821
Update Time:2025-04-19

Bicyclo[2.2.1]heptane-7,7-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]heptane-7,7-dicarboxylic acid
    • 62821-14-1
    • DTXSID90729637
    • Inchi: 1S/C9H12O4/c10-7(11)9(8(12)13)5-1-2-6(9)4-3-5/h5-6H,1-4H2,(H,10,11)(H,12,13)
    • InChI Key: QZFAKKCKVAXKJF-UHFFFAOYSA-N
    • SMILES: OC(C1(C(=O)O)C2CCC1CC2)=O

Computed Properties

  • Exact Mass: 184.07356
  • Monoisotopic Mass: 184.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 235
  • 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: 1.6
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
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