Niacin

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Properties Simple | Detailed

Formula C6H5NO2
IUPAC Name pyridin-1-ium-3-ide-3-carboxylic acid
Molecular Mass 123.109 g·mol−1
Heat of Formation -236.8 ± 16.7 kJ·mol−1
Dipole Moment 1.11 ± 1.08 D
Volume 140.22 Å 3
Surface Area 147.43 Å 2
HOMO Energy -10.72 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-carboxylpyridine
  • 3-carboxypyridine
  • 3-picolinic acid
  • 3-pyridinecarboxylic acid
  • 3pyrcooh
  • acidum nicotinicum
  • ae-641/00368010
  • akotin
  • anti-pellagra vitamin
  • antipellagra vitamin
  • apelagrin
  • beta-pyridinecarboxylic acid
  • bionic
  • bpbio1_000730
  • caswell no. 598
  • d00049
  • daskil
  • davitamon pp
  • diacin
  • direktan
  • efacin
  • enduracin
  • epa pesticide chemical code 056701
  • linic
  • ls-2334
  • m-pyridinecarboxylic acid
  • niac
  • niacin (usp)
  • niacor
  • niaspan
  • nicacid
  • nicagin
  • nicangin
  • nico
  • nico-400
  • nico-span
  • nicocidin
  • nicocrisina
  • nicodelmine
  • nicodon
  • niconacid
  • niconat
  • niconazid
  • nicosan 3
  • nicosyl
  • nicotamin
  • nicotene
  • nicotil
  • nicotine acid
  • nicotinic acid (jp15/inn)
  • nicotinic acid-carboxy-14c
  • nicotinipca
  • nicotinsaure
  • nicovasan
  • nicovasen
  • nicyl
  • nikotinsaeure
  • nio
  • nipellen
  • nyclin
  • oprea1_514398
  • p.p. factor
  • p.p. factor-pellagra preventive factor
  • pellagra
  • pellagra preventive factor
  • pellagramin
  • pellagrin
  • pelonin
  • peviton
  • pp factor
  • preventative factor
  • pyridine-.beta.-carboxylic acid
  • pyridine-3-carbonic acid
  • pyridine-3-carboxylic acid
  • pyridine-beta-carboxylic acid
  • pyridinecarboxylic acid, 3-
  • s115
  • sdccgmls-0066610.p001
  • sk-niacin
  • slo-niacin
  • sr 4390
  • tega-span
  • tinic
  • vitamin- b3
  • vitaplex n
  • wampocap
CAS Number(s)
  • 123574-58-3
  • 59-67-6
InChIKey PVNIIMVLHYAWGP-UHFFFAOYSA-N
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