2-(3,4-Dihydroxyphenyl)Ethyl (2E)-3-(3,4-Dihydroxyphenyl)Acrylate

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Properties Simple | Detailed

Formula C17H16O6
IUPAC Name 2-(3,4-dihydroxyphenyl)ethyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 316.305 g·mol−1
Heat of Formation -852.7 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 368.74 Å 3
Surface Area 335.48 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid 2-(3,4-dihydroxyphenyl)ethyl ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid 2-(3,4-dihydroxyphenyl)ethyl ester
  • 2-(3,4-dihydroxyphenyl)ethyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • 2-(3,4-dihydroxyphenyl)ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
  • 3,4-dihydroxy-beta-phenylethyl caffeate
  • 3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(3,4-dihydroxy-phenyl)-ethyl ester
  • 3-(3,4-dihydroxyphenyl)acrylic acid 2-(3,4-dihydroxyphenyl)ethyl ester
  • 3-(3,4-dihydroxyphenyl)prop-2-enoic acid 2-(3,4-dihydroxyphenyl)ethyl ester
  • 9'-decarboxyrosmarinic acid
InChIKey CCHKZGVRIOKSEE-ZZXKWVIFSA-N
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