3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Isonicotinic Acid

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Properties Simple | Detailed

Formula C8H10NO7P
IUPAC Name 3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridine-4-carboxylic acid
Molecular Mass 263.141 g·mol−1
Heat of Formation -1475.2 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 266.24 Å 3
Surface Area 253.68 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinecarboxylic acid
  • 3-hydroxy-2-methyl-5-(phosphonooxymethyl)isonicotinic acid
  • p0p
InChIKey FTQNPJLEFOEFIU-UHFFFAOYSA-N
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