3-Methyl-2-Buten-1-Yl (2E)-3-(3,4-Dihydroxyphenyl)Acrylate

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Properties Simple | Detailed

Formula C14H16O4
IUPAC Name 3-methylbut-2-enyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 248.274 g·mol−1
Heat of Formation -577.1 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 305.86 Å 3
Surface Area 297.15 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid 3-methylbut-2-enyl ester
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid 3-methylbut-2-enyl ester
  • 1,1-dacae
  • 1,1-dimethylallyl caffeic acid ester
  • 3-(3,4-dihydroxyphenyl)acrylic acid 3-methylbut-2-enyl ester
  • 3-(3,4-dihydroxyphenyl)prop-2-enoic acid 3-methylbut-2-enyl ester
  • 3-methyl-2-butenyl caffeate
  • 3-methylbut-2-enyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • 3-methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
  • cinnamic acid, 3,4-dihydroxy-, 3-methyl-2-butenyl ester
  • isoprenyl caffeate
  • prenyl caffeate
CAS Number(s)
  • 118971-61-2
  • 100884-13-7
InChIKey TTYOHMFLCXENHR-GQCTYLIASA-N
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