8-(Hexyloxy)-3-(2H-Tetrazol-5-Yl)-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C16H18N4O3
IUPAC Name 8-hexoxy-3-(2h-tetrazol-5-yl)chromen-2-one
Molecular Mass 314.339 g·mol−1
Heat of Formation -68.6 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 370.18 Å 3
Surface Area 332.85 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 8-(hexyloxy)-3-(1h-tetrazol-5-yl)-
  • 8-(hexyloxy)-3-(1h-tetrazol-5-yl)-2h-1-benzopyran-2-one
  • 8-hexoxy-3-(2h-1,2,3,4-tetrazol-5-yl)chromen-2-one
  • 8-hexoxy-3-(2h-tetrazol-5-yl)-2-chromenone
  • 8-hexoxy-3-(2h-tetrazol-5-yl)coumarin
  • 8-n-hexyloxy-3-(1h-tetrazol-5-yl)coumarin
  • al 136
  • al-136
  • kp 136
  • kp-136
CAS Number(s)
  • 76239-32-2
InChIKey GUIWTWATPUPDDY-UHFFFAOYSA-N
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