Cas no 15458-61-4 (9-Oxabicyclo[3.3.1]nonane-2,6-diol)

9-Oxabicyclo[3.3.1]nonane-2,6-diol structure
15458-61-4 structure
Product Name:9-Oxabicyclo[3.3.1]nonane-2,6-diol
CAS No:15458-61-4
MF:C8H14O3
MW:158.194962978363
CID:148392
PubChem ID:85852
Update Time:2025-04-19

9-Oxabicyclo[3.3.1]nonane-2,6-diol Chemical and Physical Properties

Names and Identifiers

    • 9-Oxabicyclo[3.3.1]nonane-2,6-diol
    • 9-Oxabicyclo(3.3.1)nonane-2,6-diol
    • EU-0002266
    • 15458-61-4
    • AKOS001600507
    • SR-01000406440
    • SIZKKURETCQUKI-UHFFFAOYSA-N
    • SCHEMBL15103116
    • 9-oxa-bicyclo[3.3.1]nonane-2,6-diol
    • DTXSID30935018
    • NS00052842
    • A901511
    • Oprea1_199004
    • EINECS 239-478-2
    • SR-01000406440-1
    • Inchi: 1S/C8H14O3/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-10H,1-4H2
    • InChI Key: SIZKKURETCQUKI-UHFFFAOYSA-N
    • SMILES: O1C2CCC(C1CCC2O)O

Computed Properties

  • Exact Mass: 158.09432
  • Monoisotopic Mass: 158.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 132
  • 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
  • Topological Polar Surface Area: 49.7A^2
  • XLogP3: 0

Experimental Properties

  • Density: 1.258
  • Boiling Point: 325.3°Cat760mmHg
  • Flash Point: 150.6°C
  • Refractive Index: 1.544
  • PSA: 49.69
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