Cas no 872788-64-2 (di-isoxazol-3-yl ketone)

di-isoxazol-3-yl ketone structure
di-isoxazol-3-yl ketone structure
Product Name:di-isoxazol-3-yl ketone
CAS No:872788-64-2
MF:C7H4N2O3
MW:164.11826133728
CID:3039659
Update Time:2025-03-14

di-isoxazol-3-yl ketone Chemical and Physical Properties

Names and Identifiers

    • di-isoxazol-3-yl ketone
    • Di-isoxazol-3-yl-keton;
    • 3-Isoxazolyl ketone (5CI)
    • Inchi: 1S/C7H4N2O3/c10-7(5-1-3-11-8-5)6-2-4-12-9-6/h1-4H
    • InChI Key: VIUVEHBUGMNDPH-UHFFFAOYSA-N
    • SMILES: C(C1=NOC=C1)(C1=NOC=C1)=O

Computed Properties

  • Exact Mass: 164.02200

Experimental Properties

  • Density: 1.372±0.06 g/cm3(Predicted)
  • Melting Point: 76 °C
  • Boiling Point: 360.8±17.0 °C(Predicted)
  • PSA: 69.13000
  • LogP: 0.89360
  • pka: -7.06±0.50(Predicted)
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