(7E,7'E)-5,5'-Diferulic Acid

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Properties Simple | Detailed

Formula C20H18O8
IUPAC Name (e)-3-[3-[5-[(e)-2-carboxyvinyl]-2-hydroxy-3-methoxy-phenyl]-4-hydroxy-5-methoxy-phenyl]prop-2-enoic acid
Molecular Mass 386.352 g·mol−1
Heat of Formation -1134.9 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 432.85 Å 3
Surface Area 395.3 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[4-hydroxy-3-[2-hydroxy-5-[(e)-3-hydroxy-3-keto-prop-1-enyl]-3-methoxy-phenyl]-5-methoxy-phenyl]acrylic acid
  • (e)-3-[4-hydroxy-3-[2-hydroxy-5-[(e)-3-hydroxy-3-oxo-prop-1-enyl]-3-methoxy-phenyl]-5-methoxy-phenyl]prop-2-enoic acid
  • (e)-3-[4-hydroxy-3-[2-hydroxy-5-[(e)-3-hydroxy-3-oxoprop-1-enyl]-3-methoxyphenyl]-5-methoxyphenyl]prop-2-enoic acid
  • 3-[4-hydroxy-3-[2-hydroxy-5-(3-hydroxy-3-keto-prop-1-enyl)-3-methoxy-phenyl]-5-methoxy-phenyl]acrylic acid
  • 3-[4-hydroxy-3-[2-hydroxy-5-(3-hydroxy-3-oxo-prop-1-enyl)-3-methoxy-phenyl]-5-methoxy-phenyl]prop-2-enoic acid
  • 3-[4-hydroxy-3-[2-hydroxy-5-(3-hydroxy-3-oxoprop-1-enyl)-3-methoxyphenyl]-5-methoxyphenyl]prop-2-enoic acid
  • diferulic acid
CAS Number(s)
  • 436-96-4
InChIKey LBQZVWQOPFFQJI-GGWOSOGESA-N
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