1-(4-Nitrophenyl)-2-Propen-1-One

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Properties Simple | Detailed

Formula C9H7NO3
IUPAC Name 1-(4-nitrophenyl)prop-2-en-1-one
Molecular Mass 177.157 g·mol−1
Heat of Formation 11.6 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 204.53 Å 3
Surface Area 201.8 Å 2
HOMO Energy -10.75 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4'-nitrophenyl)prop-2-en-1-one
  • 2-propen-1-one, 1-(4-nitrophenyl)-
  • np-peo
CAS Number(s)
  • 22731-72-2
InChIKey DQYLFLJHEBERCG-UHFFFAOYSA-N
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