11-Oxo-11H-Pyrido[2,1-B]Quinazoline-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C13H12N2O3
IUPAC Name 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-6,7,8,9-tetraide-2-carboxylic acid
Molecular Mass 244.246 g·mol−1
Heat of Formation -259.6 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 257.49 Å 3
Surface Area 244.28 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry Cs
Synonyms
  • 11-ketopyrido[2,1-b]quinazoline-2-carboxylic acid
  • 11-oxo-11h-pyrido(2,1-b)quinazoline-2-carboxylic acid
  • 11-oxo-11h-pyrido(2,1-b)quinazolone-2-carboxylic acid
  • 11-oxo-2-pyrido[2,1-b]quinazolinecarboxylic acid
  • 11h-pyrido(2,1-b)quinazolone-2-carboxylic acid, 11-oxo-
  • docualast [spanish]
  • doqualast
  • doqualastum [latin]
  • sm 857
  • sm 857 se
  • sm 857se
CAS Number(s)
  • 64019-03-0
InChIKey HMZDSBSMNLBGIW-UHFFFAOYSA-N
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