5-Hydroxy-4-(Hydroxymethyl)-6-Methylnicotinic Acid

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Properties Simple | Detailed

Formula C8H10NO4
IUPAC Name 5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-1-ium-3-ide-3-carboxylic acid
Molecular Mass 184.169 g·mol−1
Heat of Formation -652.0 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 200.53 Å 3
Surface Area 194.61 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylic acid
  • 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
  • 5-hydroxy-6-methyl-4-methylol-nicotinic acid
  • 5-pyridoxic acid
CAS Number(s)
  • 524-07-2
InChIKey VJZTVPVXKYQRJZ-UHFFFAOYSA-N
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