Cas no 261919-41-9 (4,8-Dioxatricyclo[5.1.0.03,5]octan-2-ol)

4,8-Dioxatricyclo[5.1.0.03,5]octan-2-ol structure
261919-41-9 structure
Product Name:4,8-Dioxatricyclo[5.1.0.03,5]octan-2-ol
CAS No:261919-41-9
MF:C6H8O3
MW:128.125922203064
CID:247419
PubChem ID:13812551
Update Time:2025-04-19

4,8-Dioxatricyclo[5.1.0.03,5]octan-2-ol Chemical and Physical Properties

Names and Identifiers

    • 4,8-Dioxatricyclo[5.1.0.03,5]octan-2-ol
    • Inositol,1,2:4,5-dianhydro-3-deoxy- (9CI)
    • 4,8-Dioxatricyclo[5.1.0.0~3,5~]octan-2-ol
    • DTXSID80550270
    • 261919-41-9
    • Inchi: 1S/C6H8O3/c7-4-5-2(8-5)1-3-6(4)9-3/h2-7H,1H2
    • InChI Key: JMRWEEWKQSCNPT-UHFFFAOYSA-N
    • SMILES: O1C2CC3C(C(C12)O)O3

Computed Properties

  • Exact Mass: 128.047344113g/mol
  • Monoisotopic Mass: 128.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 142
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.7
  • Topological Polar Surface Area: 45.3?2
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