7-Ethyl-2-Methyl-4-Oxo-4,7-Dihydrothieno[2,3-B]Pyridine-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H14NO3S
IUPAC Name 7-ethyl-2-methyl-4-oxo-3h-thieno[2,3-b]pyridin-7-ium-2,3,3a-triide-5-carboxylic acid
Molecular Mass 240.299 g·mol−1
Heat of Formation -399.6 ± 16.7 kJ·mol−1
Dipole Moment 7.09 ± 1.08 D
Volume 265.83 Å 3
Surface Area 246.71 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 7-ethyl-2-methyl-4-oxo-4,7-dihydrothieno(2,3-b)pyridine-5-carboxylic acid
  • 7-ethyl-2-methyl-4-oxo-5-thieno[3,2-e]pyridinecarboxylic acid
  • 7-ethyl-2-methyl-4-oxo-thieno[3,2-e]pyridine-5-carboxylic acid
  • 7-ethyl-2-methyl-4-oxothieno[3,2-e]pyridine-5-carboxylic acid
  • 7-ethyl-4-keto-2-methyl-thieno[3,2-e]pyridine-5-carboxylic acid
  • emodhtp
  • thieno(2,3-b)pyridine-5-carboxylic acid, 7-ethyl-4,7-dihydro-2-methyl-4-oxo-
CAS Number(s)
  • 55503-20-3
InChIKey JLLCZRLPPPCXFR-UHFFFAOYSA-N
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