2-(Dimethylamino)-2-Oxoethyl (2R)-2-(2-Methyl-5H-Chromeno[2,3-B]Pyridin-7-Yl)Propanoate

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Properties Simple | Detailed

Formula C20H22N2O4
IUPAC Name [2-(dimethylamino)-2-oxo-ethyl] (2r)-2-(2-methyl-5h-chromeno[2,3-b]pyridin-7-yl)propanoate
Molecular Mass 354.400 g·mol−1
Heat of Formation -533.3 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 421.75 Å 3
Surface Area 380.35 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2-dimethylamino-2-oxo-ethyl) (2r)-2-(2-methyl-5h-chromeno[2,3-b]pyridin-7-yl)propanoate
  • (2r)-2-(2-methyl-5h-chromeno[2,3-b]pyridin-7-yl)propanoic acid (2-dimethylamino-2-oxoethyl) ester
  • (2r)-2-(2-methyl-5h-chromeno[2,3-b]pyridin-7-yl)propionic acid (2-dimethylamino-2-keto-ethyl) ester
InChIKey ZAKRMJAETCUYKK-CYBMUJFWSA-N
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