Cas no 150516-88-4 (3-Isoxazolecarboxylic acid, 5-(1,1-dimethylethyl)-, 2-phenylethyl ester)

3-Isoxazolecarboxylic acid, 5-(1,1-dimethylethyl)-, 2-phenylethyl ester structure
150516-88-4 structure
Product Name:3-Isoxazolecarboxylic acid, 5-(1,1-dimethylethyl)-, 2-phenylethyl ester
CAS No:150516-88-4
MF:C16H19NO3
MW:273.326964616776
CID:1321858
Update Time:2024-08-18

3-Isoxazolecarboxylic acid, 5-(1,1-dimethylethyl)-, 2-phenylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolecarboxylic acid, 5-(1,1-dimethylethyl)-, 2-phenylethyl ester
    • Inchi： 1S/C16H19NO3/c1-16(2,3)14-11-13(17-20-14)15(18)19-10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
    • InChI Key： HEAWBHQRQQULGN-UHFFFAOYSA-N
    • SMILES： O1C(C(C)(C)C)=CC(C(OCCC2=CC=CC=C2)=O)=N1

Computed Properties

  • Exact Mass: 273.13657

Experimental Properties

  • Density: 1.105±0.06 g/cm3(Predicted)
  • Boiling Point: 409.1±40.0 °C(Predicted)
  • PSA: 52.33
  • pka: -4.95±0.50(Predicted)

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