2-Propenal, 3- (4-Nitrophenyl)-

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Properties Simple | Detailed

Formula C9H7NO3
IUPAC Name (e)-3-(4-nitrophenyl)prop-2-enal
Molecular Mass 177.157 g·mol−1
Heat of Formation 17.6 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 203.28 Å 3
Surface Area 204.57 Å 2
HOMO Energy -10.37 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry Cs
Synonyms
  • (2e)-3-(4-nitrophenyl)-2-propenal
  • (e)-3-(4-nitrophenyl)acrolein
  • (e)-3-(4-nitrophenyl)prop-2-enal
  • 2-propenal, 3-(4-nitrophenyl)-
  • 3-(4-nitrophenyl)-2-propenal
  • 3-(4-nitrophenyl)acrolein
  • 3-(4-nitrophenyl)prop-2-enal
  • 4-nitrocinnamaldehyde
  • 4-nitrocinnamaldehyde, predominantly trans
  • p-nitrocinnamaldehyde
  • trans-4-nitrocinnamaldehyde
CAS Number(s)
  • 1734-79-8
InChIKey ALGQVMMYDWQDEC-OWOJBTEDSA-N
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