1-(3-(3,4-Bis(Acetyloxy)Phenyl)-1-Oxo-2-Propenyl)-2-Pyrrolidinone

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Properties Simple | Detailed

Formula C17H17NO6
IUPAC Name [2-acetoxy-4-[(e)-3-oxo-3-(2-oxopyrrolidin-1-yl)prop-1-enyl]phenyl] acetate
Molecular Mass 331.320 g·mol−1
Heat of Formation -936.2 ± 16.7 kJ·mol−1
Dipole Moment 0.86 ± 1.08 D
Volume 376.62 Å 3
Surface Area 349.76 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 2-pyrrolidinone, 1-(3-(3,4-bis(acetyloxy)phenyl)-1-oxo-2-propenyl)-
  • 3,4-dacp
  • [2-acetoxy-4-[(e)-3-oxo-3-(2-oxopyrrolidin-1-yl)prop-1-enyl]phenyl] acetate
  • [2-acetyloxy-4-[(e)-3-oxo-3-(2-oxopyrrolidin-1-yl)prop-1-enyl]phenyl] ethanoate
  • acetic acid [2-acetoxy-4-[(e)-3-keto-3-(2-ketopyrrolidin-1-yl)prop-1-enyl]phenyl] ester
  • acetic acid [2-acetoxy-4-[(e)-3-oxo-3-(2-oxo-1-pyrrolidinyl)prop-1-enyl]phenyl] ester
  • n-(3,4-diacetoxycinnamoyl)-2-pyrrolidone
CAS Number(s)
  • 110882-08-1
InChIKey FQDBNRXUMKKJMP-SOFGYWHQSA-N
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