Cas no 4361-34-6 (2-Oxaspiro[5.5]undecane-1,3-dione)

2-Oxaspiro[5.5]undecane-1,3-dione structure
4361-34-6 structure
Product Name:2-Oxaspiro[5.5]undecane-1,3-dione
CAS No:4361-34-6
MF:C10H14O3
MW:182.216363430023
CID:333775
PubChem ID:18954778
Update Time:2025-04-19

2-Oxaspiro[5.5]undecane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 2-Oxaspiro[5.5]undecane-1,3-dione
    • Cyclohexanepropanoic acid,1-carboxy-, cyclic anhydride
    • Cyclohexanepropionicacid, 1-carboxy-, cyclic anhydride (7CI,8CI)
    • SCHEMBL2451380
    • DTXSID00596832
    • 4361-34-6
    • Inchi: 1S/C10H14O3/c11-8-4-7-10(9(12)13-8)5-2-1-3-6-10/h1-7H2
    • InChI Key: VNKHLAUNOWMLSK-UHFFFAOYSA-N
    • SMILES: O1C(CCC2(C1=O)CCCCC2)=O

Computed Properties

  • Exact Mass: 182.09432
  • Monoisotopic Mass: 182.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 239
  • 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: 1.9
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

2-Oxaspiro[5.5]undecane-1,3-dione Related Literature

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