Cas no 6454-84-8 (4-Methylisoxazole)

4-Methylisoxazole structure
4-Methylisoxazole structure
Product Name:4-Methylisoxazole
CAS No:6454-84-8
MF:C4H5NO
MW:83.0886008739471
MDL:MFCD04118106
CID:500629
PubChem ID:12150354
Update Time:2025-04-19

4-Methylisoxazole Chemical and Physical Properties

Names and Identifiers

    • 4-Methylisoxazole
    • 4-methyl-1,2-oxazole
    • Isoxazole, 4-methyl-
    • Z600428294
    • DTXSID70478611
    • MFCD04118106
    • I11485
    • 4-Amino-1-benzylpiperidine-4-carboxylic?acid
    • AKOS005168605
    • 6454-84-8
    • EN300-50357
    • FT-0696239
    • MDL: MFCD04118106
    • Inchi: 1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3
    • InChI Key: VHWFNFITHSPBSR-UHFFFAOYSA-N
    • SMILES: O1C=C(C=N1)C

Computed Properties

  • Exact Mass: 83.03710
  • Monoisotopic Mass: 83.037113783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 46.8
  • 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: 0.7
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Density: 1.016
  • Boiling Point: 124 oC
  • Flash Point: 27 oC
  • PSA: 26.03000
  • LogP: 0.98300

4-Methylisoxazole Pricemore >>

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