[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridinyl]Methyl Salicylate

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Properties Simple | Detailed

Formula C15H15NO5
IUPAC Name [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl 2-hydroxybenzoate
Molecular Mass 289.283 g·mol−1
Heat of Formation -696.7 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 332.45 Å 3
Surface Area 303.83 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxybenzoic acid (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl ester
  • 2-hydroxybenzoic acid [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl ester
  • [5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-3-yl]methyl 2-hydroxybenzoate
  • [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl 2-hydroxybenzoate
  • benzoic acid, 2-hydroxy-, (5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl ester
  • pyridoxol salicylate
  • salicyloylpyridoxol
CAS Number(s)
  • 73694-53-8
InChIKey CSNWQDFVBRFNHG-UHFFFAOYSA-N
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