Benzyl Nicotinate

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Properties Simple | Detailed

Formula C13H12NO2
IUPAC Name benzyl pyridin-1-ium-3-ide-3-carboxylate
Molecular Mass 214.240 g·mol−1
Heat of Formation -105.7 ± 16.7 kJ·mol−1
Dipole Moment 0.10 ± 1.08 D
Volume 256.66 Å 3
Surface Area 247.79 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-pyridinecarboxylic acid phenylmethyl ester
  • 3-pyridinecarboxylic acid, phenylmethyl ester
  • benzyl nicotinate (jan)
  • benzylis nicotinas
  • d01419
  • niacin benzyl ester
  • nicotinic acid benzyl ester
  • nicotinic acid, benzyl ester
  • nicotinsaeurebenzylester
  • phenylmethyl 3-pyridinecarboxylate
  • phenylmethyl pyridine-3-carboxylate
  • pycaril
  • pykaryl
  • pyridin-3-carbonsaeurebenzylester
  • rubriment
CAS Number(s)
  • 94-44-0
InChIKey KVYGGMBOZFWZBQ-UHFFFAOYSA-N
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