Cas no 22347-47-3 (1,4-Dioxan-2-ol)

1,4-Dioxan-2-ol structure
1,4-Dioxan-2-ol structure
Product Name:1,4-Dioxan-2-ol
CAS No:22347-47-3
MF:C4H8O3
MW:104.104521751404
CID:1407488
PubChem ID:542145
Update Time:2025-04-20

1,4-Dioxan-2-ol Chemical and Physical Properties

Names and Identifiers

    • 1,4-Dioxan-2-ol
    • dioxane-alcohol
    • SCHEMBL103806
    • 22347-47-3
    • DTXSID50337353
    • Inchi: 1S/C4H8O3/c5-4-3-6-1-2-7-4/h4-5H,1-3H2
    • InChI Key: RNQWXOKSUCPOFS-UHFFFAOYSA-N
    • SMILES: O1CCOCC1O

Computed Properties

  • Exact Mass: 104.04734
  • Monoisotopic Mass: 104.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 54.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.8
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.69
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