Cas no 90271-40-2 (3-Isoxazolecarboxamide,5-methyl-N-2-propen-1-yl-)

3-Isoxazolecarboxamide,5-methyl-N-2-propen-1-yl- structure
90271-40-2 structure
Product Name:3-Isoxazolecarboxamide,5-methyl-N-2-propen-1-yl-
CAS No:90271-40-2
MF:C8H10N2O2
MW:166.177201747894
CID:798184
Update Time:2022-07-26

3-Isoxazolecarboxamide,5-methyl-N-2-propen-1-yl- Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolecarboxamide,5-methyl-N-2-propen-1-yl-
    • 3-Isoxazolecarboxamide,N-allyl-5-methyl-(7CI)
    • N-allyl-5-methylisoxazole-3-carboxamide
    • 3-Isoxazolecarboxamide, 5-methyl-N-2-propen-1-yl-
    • Inchi: 1S/C8H10N2O2/c1-3-4-9-8(11)7-5-6(2)12-10-7/h3,5H,1,4H2,2H3,(H,9,11)
    • InChI Key: HZVMMUQWCDMUTK-UHFFFAOYSA-N
    • SMILES: O1C(C)=CC(C(NCC=C)=O)=N1

Computed Properties

  • Exact Mass: 166.074
  • Monoisotopic Mass: 166.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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: 1.1
  • Topological Polar Surface Area: 55.1A^2
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