Methyl 5-[(1S,2S)-1,2-Dihydroxypropyl]-2-Pyridinecarboxylate

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Properties Simple | Detailed

Formula C10H13NO4
IUPAC Name methyl 5-[(1s,2s)-1,2-dihydroxypropyl]-3h-pyridin-1-ium-3-ide-2-carboxylate
Molecular Mass 211.215 g·mol−1
Heat of Formation -626.8 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 248.37 Å 3
Surface Area 239.86 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(1s,2s)-1,2-dihydroxypropyl]-2-pyridinecarboxylic acid methyl ester
  • 5-[(1s,2s)-1,2-dihydroxypropyl]picolinic acid methyl ester
  • methyl 5-[(1s,2s)-1,2-dihydroxypropyl]pyridine-2-carboxylate
InChIKey XZXCYBBAXJQLFQ-IMTBSYHQSA-N
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