Cas no 24400-67-7 (5-Methyl-3-phenyl-4-isoxazolecarbonitrile)

5-Methyl-3-phenyl-4-isoxazolecarbonitrile structure
24400-67-7 structure
Product Name:5-Methyl-3-phenyl-4-isoxazolecarbonitrile
CAS No:24400-67-7
MF:C11H8N2O
MW:184.19402217865
MDL:MFCD00172106
CID:1420136
PubChem ID:1237042
Update Time:2025-04-20

5-Methyl-3-phenyl-4-isoxazolecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarbonitrile, 5-methyl-3-phenyl-
    • 5-Methyl-3-phenyl-1,2-oxazole-4-carbonitrile
    • 24400-67-7
    • MFCD00172106
    • AKOS006271608
    • Bionet2_000027
    • 5-methyl-3-phenylisoxazole-4-carbonitrile
    • 10B-058
    • 5-methyl-3-phenyl-4-isoxazolecarbonitrile, AldrichCPR
    • HMS1364B05
    • 5-methyl-3-phenyl-4-isoxazolecarbonitrile
    • DTXSID90361253
    • 5-Methyl-3-phenyl-4-isoxazolecarbonitrile
    • MDL: MFCD00172106
    • Inchi: 1S/C11H8N2O/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,1H3
    • InChI Key: DVIXSNXCESPDIB-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C#N)C(C2C=CC=CC=2)=N1

Computed Properties

  • Exact Mass: 184.06374
  • Monoisotopic Mass: 184.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 239
  • 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: 2.1
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • PSA: 49.82

5-Methyl-3-phenyl-4-isoxazolecarbonitrile Pricemore >>

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