Cas no 88721-64-6 (3-Isoxazolecarboxaldehyde,5-(1,1-dimethylethyl)-)

3-Isoxazolecarboxaldehyde,5-(1,1-dimethylethyl)- structure
88721-64-6 structure
Product Name:3-Isoxazolecarboxaldehyde,5-(1,1-dimethylethyl)-
CAS No:88721-64-6
MF:C8H11NO2
MW:153.178442239761
CID:710022
PubChem ID:45083802
Update Time:2025-04-19

3-Isoxazolecarboxaldehyde,5-(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolecarboxaldehyde,5-(1,1-dimethylethyl)-
    • 3-Isoxazolecarboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)
    • 5-(1,1-dimethylethyl)-3-Isoxazolecarboxaldehyde
    • Z1255497510
    • 5-TERT-BUTYL-1,2-OXAZOLE-3-CARBALDEHYDE
    • RALYCNUPYDXZFQ-UHFFFAOYSA-N
    • SCHEMBL3766987
    • FT-0752860
    • 5-(tert-butyl)isoxazole-3-carbaldehyde
    • 88721-64-6
    • 5-t-butyl-isoxazole-3-carbaldehyde
    • EN300-1154368
    • Inchi： 1S/C8H11NO2/c1-8(2,3)7-4-6(5-10)9-11-7/h4-5H,1-3H3
    • InChI Key： RALYCNUPYDXZFQ-UHFFFAOYSA-N
    • SMILES： O1C(=CC(C=O)=N1)C(C)(C)C

Computed Properties

  • Exact Mass: 153.079
  • Monoisotopic Mass: 153.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.1A^2
  • XLogP3: 1.9

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