2-Ethoxy-6-(2H-Tetrazol-5-Yl)-9H-Xanthen-9-One

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Properties Simple | Detailed

Formula C16H12N4O3
IUPAC Name 2-ethoxy-6-(2h-tetrazol-5-yl)xanthen-9-one
Molecular Mass 308.291 g·mol−1
Heat of Formation 64.8 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 334.67 Å 3
Surface Area 313.66 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-ethoxy-6(5-tetrazolyl)xanthone
  • 2-ethoxy-6-(2h-1,2,3,4-tetrazol-5-yl)xanthen-9-one
  • 2-ethoxy-6-(2h-tetrazol-5-yl)-9-xanthenone
  • 2-ethoxy-6-(2h-tetrazol-5-yl)xanthone
  • 9h-xanthen-9-one, 2-ethoxy-6-(1h-tetrazol-5-yl)-
  • bw a827c
  • bwa 827c
  • bwa-827c
CAS Number(s)
  • 89217-08-3
InChIKey MPTIYRLFOQQXKE-UHFFFAOYSA-N
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