4-Pyridoxate

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Properties Simple | Detailed

Formula C8H9NO4
IUPAC Name 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carboxylic acid
Molecular Mass 183.161 g·mol−1
Heat of Formation -639.3 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 203.23 Å 3
Surface Area 197.32 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine
  • 3-hydroxy-2-methyl-5-methylol-isonicotinic acid
  • 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid
  • 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid
  • 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid
  • 3-pyridinecarboxylic acid, 5-hydroxy-4-(hydroxymethyl)-6-methyl-
  • 4-pyridinecarboxylic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
  • 4-pyridoxic acid
  • 4-pyridoxinecarboxylic acid
  • 4-pyridoxinic acid
  • 4-pyridoxylic acid
  • isonicotinic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
  • pyridoxic acid
CAS Number(s)
  • 82-82-6
InChIKey HXACOUQIXZGNBF-UHFFFAOYSA-N
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