1-Acetyl-4-Phenyl-1,2,4-Triazolidine-3,5-Dione

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Properties Simple | Detailed

Formula C10H9N3O3
IUPAC Name 1-acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
Molecular Mass 219.197 g·mol−1
Heat of Formation -288.2 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 240.75 Å 3
Surface Area 229.92 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazolidine-3,5-dione, 1-acetyl-4-phenyl-
  • 1,4-aptd
  • 1-acetyl-4-phenyl-urazole
  • 1-ethanoyl-4-phenyl-1,2,4-triazolidine-3,5-dione
CAS Number(s)
  • 16044-43-2
InChIKey GMFZGVRQOGGCSY-UHFFFAOYSA-N
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