4-{[2-Oxo-3-(1H-Tetrazol-5-Yl)-2H-Chromen-8-Yl]Oxy}Butanoic Acid

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Properties Simple | Detailed

Formula C14H13N4O5+
IUPAC Name 4-[2-oxo-3-(2h-tetrazol-5-yl)chromen-8-yl]oxybutanoic acid
Molecular Mass 317.277 g·mol−1
Heat of Formation -369.9 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 340.98 Å 3
Surface Area 322.21 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((2-oxo-3-(1h-tetrazol-5-yl)-2h-1-benzopyran-8-yl)oxy)butanoic acid
  • 4-(2-oxo-3-(1h-tetrazol-5-yl)-2h-chromen-8-yloxy)butyric acid
  • 4-(2-oxo-3-(1h-tetrazol-5-yl)-2h-chromene-8-yloxy)butyric acid
  • 4-[2-keto-3-(2h-tetrazol-5-yl)chromen-8-yl]oxybutyric acid
  • 4-[2-oxo-3-(2h-1,2,3,4-tetrazol-5-yl)chromen-8-yl]oxybutanoic acid
  • 4-[[2-oxo-3-(2h-tetrazol-5-yl)-8-chromenyl]oxy]butanoic acid
  • butanoic acid, 4-((2-oxo-3-(1h-tetrazol-5-yl)-2h-1-benzopyran-8-yl)oxy)-
  • c 4c
CAS Number(s)
  • 103876-49-9
InChIKey HUKUEPQBHMKXOV-UHFFFAOYSA-N
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