Coniferyl Aldehyde

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Properties Simple | Detailed

Formula C10H10O3
IUPAC Name (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal
Molecular Mass 178.185 g·mol−1
Heat of Formation -306.9 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 214.34 Å 3
Surface Area 213.05 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxy-3-methoxy-phenyl)acrolein
  • (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal
  • (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
  • 2-propenal, 3-(4-hydroxy-3-methoxyphenyl), (e)-
  • 3-(4-hydroxy-3-methoxy-phenyl)acrolein
  • 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
  • 4-hydroxy-3-methoxycinnamaldehyde
  • coniferaldehyde
  • ferulaldehyde
CAS Number(s)
  • 458-36-6
InChIKey DKZBBWMURDFHNE-NSCUHMNNSA-N
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