Ethyl 11-Oxo-2,3,6,7-Tetrahydro-1H,5H,11H-Pyrano[2,3-F]Pyrido[3,2,1-Ij]Quinoline-10-Carboxylate

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Formula C18H19NO4
IUPAC Name ethyl 11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate
Molecular Mass 313.348 g·mol−1
Heat of Formation -590.8 ± 16.7 kJ·mol−1
Dipole Moment 8.31 ± 1.08 D
Volume 358.27 Å 3
Surface Area 323.92 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 1h,5h,11h-(1)benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester
  • 1h,5h,11h-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester
  • 2,3,5,6-1h,4h-tetrahydro-9-carbethoxyquinolizino-[9,9a,1-gh]coumarin
  • coumarin 314
  • coumarin 504
  • ethyl 2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-(1)benzopyrano(6,7,8-ij)quinolizine-10-carboxylate
  • oprea1_687293
CAS Number(s)
  • 55804-66-5
  • 75496-02-5
InChIKey VMJKUPWQKZFFCX-UHFFFAOYSA-N
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