Cas no 500165-05-9 (4-Isoxazolecarboxamide, 3-methyl-5-phenyl-)

4-Isoxazolecarboxamide, 3-methyl-5-phenyl- structure
500165-05-9 structure
Product Name:4-Isoxazolecarboxamide, 3-methyl-5-phenyl-
CAS No:500165-05-9
MF:C11H10N2O2
MW:202.209302425385
CID:1546688
Update Time:2024-08-24

4-Isoxazolecarboxamide, 3-methyl-5-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxamide, 3-methyl-5-phenyl-
    • Inchi: 1S/C11H10N2O2/c1-7-9(11(12)14)10(15-13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)
    • InChI Key: IKPLPVQRIVGAAA-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC=CC=C2)=C(C(N)=O)C(C)=N1

Computed Properties

  • Exact Mass: 202.0743

Experimental Properties

  • Density: 1.220±0.06 g/cm3(Predicted)
  • Boiling Point: 362.3±42.0 °C(Predicted)
  • PSA: 69.12
  • pka: 14.28±0.50(Predicted)
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