Cas no 121604-56-6 (3-tert-butyl-1,2-oxazole-5-carbaldehyde)

3-tert-butyl-1,2-oxazole-5-carbaldehyde structure
121604-56-6 structure
Product Name:3-tert-butyl-1,2-oxazole-5-carbaldehyde
CAS No:121604-56-6
MF:C8H11NO2
MW:153.178442239761
MDL:MFCD18821817
CID:104686
PubChem ID:14366563
Update Time:2025-04-18

3-tert-butyl-1,2-oxazole-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolecarboxaldehyde,3-(1,1-dimethylethyl)-
    • 5-Isoxazolecarboxaldehyde, 3-(1,1-dimethylethyl)- (9CI)
    • 3-tert-butyl-1,2-oxazole-5-carbaldehyde
    • 3-(tert-Butyl)isoxazole-5-carbaldehyde
    • Z1216842742
    • SCHEMBL9628738
    • EN300-2011305
    • 121604-56-6
    • MDL: MFCD18821817
    • Inchi: 1S/C8H11NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h4-5H,1-3H3
    • InChI Key: WSMQUBMTGWOJES-UHFFFAOYSA-N
    • SMILES: O1C(C=O)=CC(C(C)(C)C)=N1

Computed Properties

  • Exact Mass: 153.07903
  • Monoisotopic Mass: 153.078978594g/mol
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • PSA: 43.1

3-tert-butyl-1,2-oxazole-5-carbaldehyde Pricemore >>

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