(1R,2R)-3-Acetoxy-2-Nitro-1-Phenylpropyl Acetate

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Properties Simple | Detailed

Formula C13H15NO6
IUPAC Name [(2r,3r)-3-acetoxy-2-nitro-3-phenyl-propyl] acetate
Molecular Mass 281.261 g·mol−1
Heat of Formation -722.3 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 329.86 Å 3
Surface Area 298.26 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-propanediol, 2-nitro-1-phenyl-, diacetate (ester), (1r,2r)-rel-
  • [(2r,3r)-3-acetoxy-2-nitro-3-phenyl-propyl] acetate
  • [(2r,3r)-3-acetyloxy-2-nitro-3-phenyl-propyl] ethanoate
  • [(2r,3r)-3-acetyloxy-2-nitro-3-phenylpropyl] acetate
  • acetic acid [(2r,3r)-3-acetoxy-2-nitro-3-phenylpropyl] ester
CAS Number(s)
  • 87810-43-3
InChIKey AYBALPYBYZFKDS-CHWSQXEVSA-N
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