6-Ethyl-3-(2H-Tetrazol-5-Yl)-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C12H10N4O2
IUPAC Name 6-ethyl-3-(2h-tetrazol-5-yl)chromen-4-one
Molecular Mass 242.233 g·mol−1
Heat of Formation 150.6 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 268.49 Å 3
Surface Area 254.17 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 6-ethyl-3-(1h-tetrazol-5-yl)-4h-1-benzopyran-4-one
  • 6-ethyl-3-(1h-tetrazol-5-yl)chromone
  • 6-ethyl-3-(2h-1,2,3,4-tetrazol-5-yl)chromen-4-one
  • 6-ethyl-3-(2h-tetrazol-5-yl)-4-chromenone
  • 6-ethyl-3-(2h-tetrazol-5-yl)chromone
  • aa 344
  • aa-344
CAS Number(s)
  • 50743-49-2
InChIKey UBEONZHRYRTJFN-UHFFFAOYSA-N
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