Cas no 57260-82-9 (8-Oxabicyclo[5.1.0]octan-2-one)

8-Oxabicyclo[5.1.0]octan-2-one structure
57260-82-9 structure
Product Name:8-Oxabicyclo[5.1.0]octan-2-one
CAS No:57260-82-9
MF:C7H10O2
MW:126.153102397919
CID:345968
PubChem ID:15619733
Update Time:2025-04-19

8-Oxabicyclo[5.1.0]octan-2-one Chemical and Physical Properties

Names and Identifiers

    • 8-Oxabicyclo[5.1.0]octan-2-one
    • 8-oxabicyclo[5.1.0]octan-6-one
    • SCHEMBL10406511
    • 57260-82-9
    • 8-Oxabicyclo[5.l.0]octan-2-one
    • DTXSID00575849
    • QSBVUVPCUPRNNT-UHFFFAOYSA-N
    • Inchi： 1S/C7H10O2/c8-5-3-1-2-4-6-7(5)9-6/h6-7H,1-4H2
    • InChI Key： QSBVUVPCUPRNNT-UHFFFAOYSA-N
    • SMILES： O1C2C(CCCCC12)=O

Computed Properties

  • Exact Mass: 126.0681
  • Monoisotopic Mass: 126.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 142
  • 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
  • XLogP3: 0.6
  • Topological Polar Surface Area: 29.6?2

Experimental Properties

  • PSA: 29.6

8-Oxabicyclo[5.1.0]octan-2-one Related Literature

57260-82-9 (8-Oxabicyclo[5.1.0]octan-2-one) Related Products

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