3,4-Dihydroxy-5-(4-Allylphenoxy)Cinnamic Aldehyde

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Properties Simple | Detailed

Formula C18H16O4
IUPAC Name (e)-3-[3-(4-allylphenoxy)-4,5-dihydroxy-phenyl]prop-2-enal
Molecular Mass 296.317 g·mol−1
Heat of Formation -315.4 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 360.93 Å 3
Surface Area 331.85 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal
  • (e)-3-[3-(4-allylphenoxy)-4,5-dihydroxy-phenyl]acrolein
  • (e)-3-[3-(4-allylphenoxy)-4,5-dihydroxy-phenyl]prop-2-enal
  • (e)-3-[3-(4-allylphenoxy)-4,5-dihydroxyphenyl]prop-2-enal
  • 2-propenal, 3-(3,4-dihydroxy-5-(4-(2-propenyl)phenoxy)phenyl)-, (e)-
  • obovatal
CAS Number(s)
  • 83864-77-1
InChIKey KGHJODCHEIEYBP-HWKANZROSA-N
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