Caffeic Acid Phenethyl Ester

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Properties Simple | Detailed

Formula C17H16O4
IUPAC Name 2-phenylethyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 284.307 g·mol−1
Heat of Formation -492.7 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 347.13 Å 3
Surface Area 297.82 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid 2-phenylethyl ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid 2-phenylethyl ester
  • 2-phenylethyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • 2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
  • 2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
  • 2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester
  • 2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (e)-
  • 3-(3,4-dihydroxyphenyl)acrylic acid 2-phenylethyl ester
  • 3-(3,4-dihydroxyphenyl)prop-2-enoic acid 2-phenylethyl ester
  • bio2_000280
  • bio2_000760
  • caffeic acid phenethyl ester, synthetic
  • cape
  • capeee
  • phenethyl caffeate
  • phenylethyl caffeate
  • qtl1_000016
CAS Number(s)
  • 115610-29-2
  • 104594-70-9
InChIKey SWUARLUWKZWEBQ-VQHVLOKHSA-N
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