Benzyl 3,4-Dihydroxycinnamate

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Properties Simple | Detailed

Formula C16H14O4
IUPAC Name benzyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 270.280 g·mol−1
Heat of Formation -455.3 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 319.86 Å 3
Surface Area 307.51 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid benzyl ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid phenylmethyl ester
  • 2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, phenylmethyl ester
  • 3-(3,4-dihydroxyphenyl)acrylic acid benzyl ester
  • 3-(3,4-dihydroxyphenyl)prop-2-enoic acid phenylmethyl ester
  • benzyl caffeate
  • megxp0_000689
  • phenylmethyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • phenylmethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
  • phenylmethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
  • phenylmethyl caffeate
CAS Number(s)
  • 107843-77-6
InChIKey WWVKQTNONPWVEL-VQHVLOKHSA-N
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