(E)-Ethyl Caffeate

Molecule SVG Image

Properties Simple | Detailed

Formula C11H12O4
IUPAC Name ethyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 208.211 g·mol−1
Heat of Formation -598.1 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 246.98 Å 3
Surface Area 245.85 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid ethyl ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid ethyl ester
  • 2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester
  • 3,4-dihydroxycinnamic acid, ethyl ester
  • 3-(3,4-dihydroxyphenyl)acrylic acid ethyl ester
  • 3-(3,4-dihydroxyphenyl)prop-2-enoic acid ethyl ester
  • caffeic acid ethyl ester
  • ethyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • ethyl 3,4-dihydroxycinnamate
  • ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
  • ethyl caffeate
CAS Number(s)
  • 66648-50-8
  • 102-37-4
InChIKey WDKYDMULARNCIS-GQCTYLIASA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O