Cas no 628704-26-7 (Isoxazole, 5-[(aminooxy)methyl]-3-(2,3-dimethoxyphenyl)-)

Isoxazole, 5-[(aminooxy)methyl]-3-(2,3-dimethoxyphenyl)- structure
628704-26-7 structure
Product Name:Isoxazole, 5-[(aminooxy)methyl]-3-(2,3-dimethoxyphenyl)-
CAS No:628704-26-7
MF:C12H14N2O4
MW:250.250563144684
CID:1641158
Update Time:2024-09-12

Isoxazole, 5-[(aminooxy)methyl]-3-(2,3-dimethoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Isoxazole, 5-[(aminooxy)methyl]-3-(2,3-dimethoxyphenyl)-
    • Inchi: 1S/C12H14N2O4/c1-15-11-5-3-4-9(12(11)16-2)10-6-8(7-17-13)18-14-10/h3-6H,7,13H2,1-2H3
    • InChI Key: QSOCTDIKDBBIJW-UHFFFAOYSA-N
    • SMILES: O1C(CON)=CC(C2=CC=CC(OC)=C2OC)=N1

Computed Properties

  • Exact Mass: 250.09542

Experimental Properties

  • Density: 1.220±0.06 g/cm3(Predicted)
  • Boiling Point: 398.3±42.0 °C(Predicted)
  • PSA: 79.74
  • pka: 1.44±0.70(Predicted)
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