[2-(5-Hydroxy-4,6-Dimethyl-3-Pyridinyl)Ethyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C9H14NO4P
IUPAC Name 2-(5-hydroxy-4,6-dimethyl-3-pyridyl)ethylphosphonic acid
Molecular Mass 231.186 g·mol−1
Heat of Formation -966.7 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 263.38 Å 3
Surface Area 247.39 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2-(5-hydroxy-4,6-dimethyl-3-pyridyl)ethyl)phosphonic acid
  • 2-(5-hydroxy-4,6-dimethyl-pyridin-3-yl)ethylphosphonic acid
  • 2-(5-hydroxy-4,6-dimethylpyridin-3-yl)ethylphosphonic acid
  • 4-desoxypyridoxine phosphonate
  • phosphonic acid, (2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)ethyl)-
  • pyridoxal phosphonate
CAS Number(s)
  • 32453-95-5
InChIKey NNGJPVFQBGMJTQ-UHFFFAOYSA-N
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