1-(2-Hydroxy-3-Propyl-4-{[6-(2H-Tetrazol-5-Yl)Hexyl]Oxy}Phenyl)Ethanone

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Properties Simple | Detailed

Formula C18H26N4O3
IUPAC Name 1-[2-hydroxy-3-propyl-4-[6-(2h-tetrazol-5-yl)hexoxy]phenyl]ethanone
Molecular Mass 346.424 g·mol−1
Heat of Formation -297.7 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 438.38 Å 3
Surface Area 397.08 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-hydroxy-3-propyl-4-[6-(2h-1,2,3,4-tetrazol-5-yl)hexoxy]phenyl]ethanone
  • 2-hydroxy-3-propyl-4-(6-(tetrazol-5-yl)hexyloxy)acetophenone
  • 4-tha
  • ethanone, 1-(2-hydroxy-3-propyl-4-((6-(1h-tetrazol-5-yl)hexyl)oxy)phenyl)-
CAS Number(s)
  • 92518-14-4
InChIKey WOXRHRBPWQWPSP-UHFFFAOYSA-N
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