Cas no 62934-99-0 (Bicyclo[2.2.2]octane-2-carboxylic acid, 4-methyl-, methyl ester)

Bicyclo[2.2.2]octane-2-carboxylic acid, 4-methyl-, methyl ester structure
62934-99-0 structure
Product Name:Bicyclo[2.2.2]octane-2-carboxylic acid, 4-methyl-, methyl ester
CAS No:62934-99-0
MF:C11H18O2
MW:182.259423732758
CID:428644
PubChem ID:71381803
Update Time:2025-04-19

Bicyclo[2.2.2]octane-2-carboxylic acid, 4-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.2]octane-2-carboxylic acid, 4-methyl-, methyl ester
    • methyl 4-methylbicyclo[2.2.2]octane-2-carboxylate
    • 62934-99-0
    • DTXSID40804226
    • Inchi: 1S/C11H18O2/c1-11-5-3-8(4-6-11)9(7-11)10(12)13-2/h8-9H,3-7H2,1-2H3
    • InChI Key: CABFXCYMSAGIPV-UHFFFAOYSA-N
    • SMILES: O(C)C(C1CC2(C)CCC1CC2)=O

Computed Properties

  • Exact Mass: 182.13074
  • Monoisotopic Mass: 182.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 214
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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