Propyl Nicotinate

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Properties Simple | Detailed

Formula C9H11NO2
IUPAC Name propyl pyridine-3-carboxylate
Molecular Mass 165.189 g·mol−1
Heat of Formation -269.5 ± 16.7 kJ·mol−1
Dipole Moment 0.22 ± 1.08 D
Volume 205.26 Å 3
Surface Area 207.28 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-pyridinecarboxylic acid propyl ester
  • 3-pyridinecarboxylic acid, propyl ester
  • 3-pyridinecarboxylic acid, propyl ester (9ci)
  • nicodan
  • nicotinic acid propyl ester
  • nicotinic acid, propyl ester (8ci)
CAS Number(s)
  • 7681-15-4
InChIKey CLAOCVVWIKGTOP-UHFFFAOYSA-N
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