Cas no 22698-77-7 (1,3-Dioxane-5-methanol, 5-ethyl-2-(5-nitro-2-furanyl)-)

1,3-Dioxane-5-methanol, 5-ethyl-2-(5-nitro-2-furanyl)- structure
22698-77-7 structure
Product Name:1,3-Dioxane-5-methanol, 5-ethyl-2-(5-nitro-2-furanyl)-
CAS No:22698-77-7
MF:C11H15NO6
MW:257.239903688431
CID:1411494
Update Time:2024-08-15

1,3-Dioxane-5-methanol, 5-ethyl-2-(5-nitro-2-furanyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxane-5-methanol, 5-ethyl-2-(5-nitro-2-furanyl)-
    • Inchi: 1S/C11H15NO6/c1-2-11(5-13)6-16-10(17-7-11)8-3-4-9(18-8)12(14)15/h3-4,10,13H,2,5-7H2,1H3
    • InChI Key: MNXMEPDLIJLDNW-UHFFFAOYSA-N
    • SMILES: O1CC(CC)(CO)COC1C1=CC=C([N+]([O-])=O)O1

Computed Properties

  • Exact Mass: 257.08995

Experimental Properties

  • Density: 1.273±0.06 g/cm3(Predicted)
  • Melting Point: 70-71 °C
  • Boiling Point: 384.3±42.0 °C(Predicted)
  • PSA: 94.97
  • pka: 14.58±0.10(Predicted)
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