Methyl 1H-Pyrrolo[2,3-B]Pyridine-3-Carboxylate

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Properties Simple | Detailed

Formula C9H8N2O2
IUPAC Name methyl 2h-pyrrolo[2,3-b]pyridin-1-ium-2-ylium-3-carboxylate
Molecular Mass 176.172 g·mol−1
Heat of Formation -137.0 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 199.39 Å 3
Surface Area 198.34 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrrolo[5,4-b]pyridine-3-carboxylic acid methyl ester
InChIKey XYRUNIAHPKBUJT-UHFFFAOYSA-N
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