Cas no 356785-65-4 (Bicyclo[3.2.0]heptan-6-ol,6-ethynyl-)

Bicyclo[3.2.0]heptan-6-ol,6-ethynyl- structure
356785-65-4 structure
Product Name:Bicyclo[3.2.0]heptan-6-ol,6-ethynyl-
CAS No:356785-65-4
MF:C9H12O
MW:136.190982818604
CID:303166
Update Time:2024-01-27

Bicyclo[3.2.0]heptan-6-ol,6-ethynyl- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.2.0]heptan-6-ol,6-ethynyl-
    • 6-Ethynylbicyclo[3.2.0]heptan-6-ol
    • Bicyclo[3.2.0]heptan-6-ol, 6-ethynyl- (9CI)
    • Inchi： 1S/C9H12O/c1-2-9(10)6-7-4-3-5-8(7)9/h1,7-8,10H,3-6H2
    • InChI Key： OOIUPOAWSDRRAQ-UHFFFAOYSA-N
    • SMILES： C12C(C(C#C)(O)C1)CCC2

Computed Properties

  • Exact Mass: 136.08886
  • Monoisotopic Mass: 136.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • PSA: 20.23

Bicyclo[3.2.0]heptan-6-ol,6-ethynyl- Related Literature

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