[(1-Benzyl-5-Hydroxy-1H-Indazol-3-Yl)Oxy]Acetic Acid

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Properties Simple | Detailed

Formula C16H14N2O4
IUPAC Name 2-(1-benzyl-5-hydroxy-indazol-1-ium-2-id-3-yl)oxyacetic acid
Molecular Mass 298.293 g·mol−1
Heat of Formation -314.7 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 344.33 Å 3
Surface Area 309.67 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[1-(benzyl)-5-hydroxy-indazol-3-yl]oxyacetic acid
  • 2-[5-hydroxy-1-(phenylmethyl)indazol-3-yl]oxyethanoic acid
  • 2-[[5-hydroxy-1-(phenylmethyl)-3-indazolyl]oxy]acetic acid
  • 5-hydroxybendazac
  • acetic acid, ((5-hydroxy-1-(phenylmethyl)-1h-indazol-3-yl)oxy)-
CAS Number(s)
  • 84745-02-8
InChIKey RBHGJSQCPLSKMB-UHFFFAOYSA-N
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