Cas no 668971-77-5 (3-Isoxazolecarboxylic acid,5-[2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]phenyl]-)

3-Isoxazolecarboxylic acid,5-[2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]phenyl]- structure
668971-77-5 structure
Product Name:3-Isoxazolecarboxylic acid,5-[2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]phenyl]-
CAS No:668971-77-5
MF:C19H15NO6
MW:353.325505495071
CID:1714250
Update Time:2024-11-27

3-Isoxazolecarboxylic acid,5-[2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolecarboxylic acid,5-[2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]phenyl]-
    • 3-Isoxazolecarboxylic acid, 5-[2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]phenyl]-
    • Inchi: 1S/C19H15NO6/c21-19(22)14-9-18(26-20-14)13-5-1-2-6-15(13)23-10-12-11-24-16-7-3-4-8-17(16)25-12/h1-9,12H,10-11H2,(H,21,22)
    • InChI Key: DAKSERZGDLSUPG-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC=CC=C2OCC2COC3=CC=CC=C3O2)=CC(C(O)=O)=N1

Computed Properties

  • Exact Mass: 353.08995

Experimental Properties

  • Density: 1.350±0.06 g/cm3(Predicted)
  • Boiling Point: 567.1±50.0 °C(Predicted)
  • PSA: 91.02
  • pka: 3.31±0.10(Predicted)

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