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

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Properties Simple | Detailed

Formula C18H16O7
IUPAC Name [3-(3,4-dihydroxyphenyl)-2-oxo-propyl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 344.315 g·mol−1
Heat of Formation -953.1 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 390.19 Å 3
Surface Area 368.24 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid [3-(3,4-dihydroxyphenyl)-2-keto-propyl] ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [3-(3,4-dihydroxyphenyl)-2-oxopropyl] ester
  • 2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-(3,4-dihydroxyphenyl)-2-oxopropyl ester
  • 3-(3,4-dihydroxyphenyl)-2-oxopropyl caffeate
  • 3-(3,4-dihydroxyphenyl)acrylic acid [3-(3,4-dihydroxyphenyl)-2-keto-propyl] ester
  • 3-(3,4-dihydroxyphenyl)prop-2-enoic acid [3-(3,4-dihydroxyphenyl)-2-oxopropyl] ester
  • [3-(3,4-dihydroxyphenyl)-2-oxo-propyl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [3-(3,4-dihydroxyphenyl)-2-oxo-propyl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [3-(3,4-dihydroxyphenyl)-2-oxopropyl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • [3-(3,4-dihydroxyphenyl)-2-oxopropyl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
  • petasiphenol
CAS Number(s)
  • 145904-50-3
InChIKey VMNHBRAHVFOYGK-ZZXKWVIFSA-N
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