Cas no 17590-38-4 ((E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)diazenolate)

(E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)diazenolate structure
17590-38-4 structure
Product Name:(E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)diazenolate
CAS No:17590-38-4
MF:C3H4N4O2
MW:128.08945941925
CID:1362406
PubChem ID:5491368
Update Time:2025-04-20

(E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)diazenolate Chemical and Physical Properties

Names and Identifiers

    • (E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)diazenolate
    • (E)-(3-methyloxadiazol-3-ium-5-yl)-oxidodiazene
    • 3-methylsydnone-5-nitrosimine
    • 17590-38-4
    • RE 2047
    • 1,2,3-Oxadiazolium, 3-methyl-5-(nitrosoamino)-, inner salt
    • RE-2047
    • Sydnone imine, 3-methyl-N-nitroso-
    • Inchi: 1S/C3H4N4O2/c1-7-2-3(4-5-8)9-6-7/h2H,1H3
    • InChI Key: CIHUZTVAYJCQCK-UHFFFAOYSA-N
    • SMILES: O1C(=C[N+](C)=N1)/N=N/[O-]

Computed Properties

  • Exact Mass: 128.03352
  • Monoisotopic Mass: 128.033425
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 116
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 77.7
  • XLogP3: 0.5

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 77.69
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