Cas no 1696280-50-8 (2-Cyclopropanecarbonylcycloheptane-1,3-dione)

2-Cyclopropanecarbonylcycloheptane-1,3-dione structure
1696280-50-8 structure
Product Name:2-Cyclopropanecarbonylcycloheptane-1,3-dione
CAS No:1696280-50-8
MF:C11H14O3
MW:194.227063655853
CID:5693667
PubChem ID:107430794
Update Time:2025-07-30

2-Cyclopropanecarbonylcycloheptane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclopropanecarbonylcycloheptane-1,3-dione
    • 1696280-50-8
    • EN300-1125006
    • 1,3-Cycloheptanedione, 2-(cyclopropylcarbonyl)-
    • Inchi: 1S/C11H14O3/c12-8-3-1-2-4-9(13)10(8)11(14)7-5-6-7/h7,10H,1-6H2
    • InChI Key: LBPSDLMWRXABHG-UHFFFAOYSA-N
    • SMILES: O=C(C1C(CCCCC1=O)=O)C1CC1

Computed Properties

  • Exact Mass: 194.094294304g/mol
  • Monoisotopic Mass: 194.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 271
  • 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: 0.7
  • Topological Polar Surface Area: 51.2?2

Experimental Properties

  • Density: 1.231±0.06 g/cm3(Predicted)
  • Boiling Point: 367.7±32.0 °C(Predicted)
  • pka: 5.87±0.20(Predicted)

2-Cyclopropanecarbonylcycloheptane-1,3-dione Pricemore >>

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