(2E)-3-(4-Hydroxy-3-Methoxyphenyl)-2-Propen-1-Yl (2E)-3-(4-Hydroxy-3-Methoxyphenyl)Acrylate

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Properties Simple | Detailed

Formula C20H20O6
IUPAC Name [(e)-3-(4-hydroxy-3-methoxy-phenyl)allyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Molecular Mass 356.369 g·mol−1
Heat of Formation -721.0 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 419.94 Å 3
Surface Area 395.82 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] ester
  • (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] ester
  • 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 3-(4-hydroxy-3-methoxyphenyl)-2-propenyl ester
  • [(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [(e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • coniferyl ferulate
CAS Number(s)
  • 63644-62-2
InChIKey PGLIMMMHQDNVRS-YZQQHVNFSA-N
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