3-(2,6-Diacetyl-1,5-Dimethyl-3H-Pyrrolizin-7-Yl)Propanoic Acid

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Properties Simple | Detailed

Formula C16H19NO4
IUPAC Name 3-(2,6-diacetyl-3,7-dimethyl-5h-pyrrolizin-1-yl)propanoic acid
Molecular Mass 289.326 g·mol−1
Heat of Formation -644.6 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 353.81 Å 3
Surface Area 300.39 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-diacetyl-1,5-dimethyl-7-(2-carboxyethyl)-3h-pyrrolizine
  • 3-(2,6-diacetyl-3,7-dimethyl-5h-pyrrolizin-1-yl)propionic acid
  • 3-(2,6-diethanoyl-3,7-dimethyl-5h-pyrrolizin-1-yl)propanoic acid
  • dadmcep
CAS Number(s)
  • 153288-96-1
InChIKey MCBFYDVTVQJVCW-UHFFFAOYSA-N
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