Cas no 144657-39-6 (3-oxobicyclo2.2.1heptane-1-carboxylic acid)

3-oxobicyclo2.2.1heptane-1-carboxylic acid structure
144657-39-6 structure
Product Name:3-oxobicyclo2.2.1heptane-1-carboxylic acid
CAS No:144657-39-6
MF:C8H10O3
MW:154.163202762604
CID:108835
PubChem ID:45084805
Update Time:2025-04-18

3-oxobicyclo2.2.1heptane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]heptane-1-carboxylicacid, 3-oxo-
    • 2-oxobicyclo[2.2.1]heptane-4-carboxylic acid
    • 3-oxobicyclo2.2.1heptane-1-carboxylic acid
    • DTXSID80665717
    • 3-Oxobicyclo[2.2.1]heptane-1-carboxylic acid
    • Bicyclo[2.2.1]heptane-1-carboxylic acid, 3-oxo-
    • EN300-100040
    • 144657-39-6
    • Inchi: 1S/C8H10O3/c9-6-4-8(7(10)11)2-1-5(6)3-8/h5H,1-4H2,(H,10,11)
    • InChI Key: VUTINWOSSFBFSE-UHFFFAOYSA-N
    • SMILES: O=C1CC2(C(=O)O)CCC1C2

Computed Properties

  • Exact Mass: 154.063
  • Monoisotopic Mass: 154.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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
  • Topological Polar Surface Area: 54.4A^2
  • XLogP3: -0.1

Experimental Properties

  • PSA: 54.37

3-oxobicyclo2.2.1heptane-1-carboxylic acid Pricemore >>

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