4,5-Bis(Hydroxymethyl)-2-Methyl-3-Pyridinyl Benzoate

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Properties Simple | Detailed

Formula C15H15NO4
IUPAC Name [4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl] benzoate
Molecular Mass 273.284 g·mol−1
Heat of Formation -517.3 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 319.6 Å 3
Surface Area 286.13 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-pyridinedimethanol, 5-(benzoyloxy)-6-methyl-
  • 5-o-benzoyl pyridoxine
  • [4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-yl] benzoate
  • [4,5-bis(hydroxymethyl)-2-methylpyridin-3-yl] benzoate
  • benzoic acid (2-methyl-4,5-dimethylol-3-pyridyl) ester
  • benzoic acid [4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl] ester
  • pyridoxine 5-benzoic acid ester
CAS Number(s)
  • 80503-44-2
InChIKey BLFFHRCQTXLMDE-UHFFFAOYSA-N
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