N-[(2R)-3-Hydroxy-1-(4-Nitrophenyl)-1-Oxo-2-Propanyl]Acetamide

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Properties Simple | Detailed

Formula C11H12N2O5
IUPAC Name n-[(1r)-1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxo-ethyl]acetamide
Molecular Mass 252.223 g·mol−1
Heat of Formation -470.7 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 284.54 Å 3
Surface Area 263.37 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy 1.38 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r)-1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxo-ethyl]acetamide
  • n-[(1r)-1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide
  • n-[(1r)-2-keto-1-methylol-2-(4-nitrophenyl)ethyl]acetamide
  • n-[(2r)-3-hydroxy-1-(4-nitrophenyl)-1-oxo-propan-2-yl]ethanamide
InChIKey MXTCOGZRSFDQTK-SNVBAGLBSA-N
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