Makaluvic Acid A

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Properties Simple | Detailed

Formula C9H10N2O3
IUPAC Name 5-methyl-4-oxo-6,7-dihydropyrrolo[3,4-c]pyridin-2-ium-3-ylium-3-carboxylic acid
Molecular Mass 194.187 g·mol−1
Heat of Formation -416.0 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 216.32 Å 3
Surface Area 208.83 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 4-keto-5-methyl-6,7-dihydro-2h-pyrrolo[3,4-c]pyridine-3-carboxylic acid
  • 5-methyl-4-oxo-6,7-dihydro-2h-pyrrolo[3,4-c]pyridine-3-carboxylic acid
InChIKey PTBJVLGXDFOMFM-UHFFFAOYSA-N
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