Cas no 5311-60-4 (Benzaldehyde,2-(2,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)hydrazone)

Benzaldehyde,2-(2,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)hydrazone structure
5311-60-4 structure
Product Name:Benzaldehyde,2-(2,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)hydrazone
CAS No:5311-60-4
MF:C12H17NO4
MW:239.267683744431
CID:381263
PubChem ID:794147
Update Time:2025-04-19

Benzaldehyde,2-(2,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)hydrazone Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,2-(2,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)hydrazone
    • Oprea1_515221
    • 1-{[(2,2,3,3-tetramethylcyclopropyl)carbonyl]oxy}pyrrolidine-2,5-dione
    • SR-01000204061-1
    • HMS1580P06
    • Cambridge id 5311604
    • DTXSID30355217
    • 5311-60-4
    • AB00080103-01
    • SR-01000204061
    • Inchi: 1S/C12H17NO4/c1-11(2)9(12(11,3)4)10(16)17-13-7(14)5-6-8(13)15/h9H,5-6H2,1-4H3
    • InChI Key: WMFZEBUYYHEXEM-UHFFFAOYSA-N
    • SMILES: O(C(C1C(C)(C)C1(C)C)=O)N1C(CCC1=O)=O

Computed Properties

  • Exact Mass: 239.11581
  • Monoisotopic Mass: 239.115758
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 381
  • 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
  • Topological Polar Surface Area: 63.7
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.22
  • Boiling Point: 302.6°C at 760 mmHg
  • Flash Point: 136.8°C
  • Refractive Index: 1.522
  • PSA: 63.68
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