Methyl Caffeate

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Properties Simple | Detailed

Formula C10H10O4
IUPAC Name methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 194.184 g·mol−1
Heat of Formation -566.0 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 224.8 Å 3
Surface Area 225.82 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid methyl ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid methyl ester
  • 2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester
  • 3-(3,4-dihydroxyphenyl)acrylic acid methyl ester
  • 3-(3,4-dihydroxyphenyl)prop-2-enoic acid methyl ester
  • caffeic acid, methyl ester
  • methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • methyl 3,4-dihydroxycinnamate
  • methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS Number(s)
  • 3843-74-1
InChIKey OCNYGKNIVPVPPX-HWKANZROSA-N
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