(3S)-1-(4-Acetylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid

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Properties Simple | Detailed

Formula C13H13NO4
IUPAC Name (3s)-1-(4-acetylphenyl)-5-oxo-pyrrolidine-3-carboxylic acid
Molecular Mass 247.247 g·mol−1
Heat of Formation -632.2 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 282.95 Å 3
Surface Area 265.3 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-1-(4-acetylphenyl)-5-keto-pyrrolidine-3-carboxylic acid
  • (3s)-1-(4-acetylphenyl)-5-oxo-pyrrolidine-3-carboxylic acid
  • (3s)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
  • (3s)-1-(4-ethanoylphenyl)-5-oxo-pyrrolidine-3-carboxylic acid
InChIKey SQGYWRZISBCKMW-JTQLQIEISA-N
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