4-(Ethoxycarbonyl)-1-Oxo-1,5-Dihydropyrido[1,2-A]Benzimidazole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H12N2O5
IUPAC Name 4-ethoxycarbonyl-1-oxo-3,5,6,7,8,9-hexahydropyrido[1,2-a]benzimidazole-2,3,4,4a,5a,6,7,8,9,9a-decaide-2-carboxylic acid
Molecular Mass 300.266 g·mol−1
Heat of Formation -700.0 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 321.2 Å 3
Surface Area 299.13 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1h,5h-pyrido(1,2-a)benzimidazole, 2-carboxy-4-ethoxycarbonyl-1-oxo-
  • 2-carboxy-4-ethoxycarbonyl-1-oxo-1h,5h-pyrido(1,2-a)benzimidazole
  • 2-carboxy-4-ethoxycarbonyl-1-oxo-1h,5h-pyrido[1,2-a]benaimidazole
  • 4-carbethoxy-1-keto-5h-pyrido[6,1-b]benzimidazole-2-carboxylic acid
  • 4-ethoxycarbonyl-1-oxo-5h-pyrido[6,1-b]benzimidazole-2-carboxylic acid
  • ceopb
  • {2-carboxy-4-ethoxycarbonyl-1-oxo-1h,5h-pyrido[1,2-a]benaimidazole}
CAS Number(s)
  • 117922-47-1
InChIKey NRTCMFMOUDUEPB-UHFFFAOYSA-N
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