Chem
J-GLOBAL ID：200907011618585516   Nikkaji number：J275.522J

Ethyl caffeate

カフェー酸エチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H12O4
Molecular formula furigana： C11-H12-O4
Molecular weight： 208.213
InChI： InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3
InChI key： WDKYDMULARNCIS-UHFFFAOYSA-N
SMILES： CCOC(=O)C=Cc1ccc(O)c(O)c1
Systematic name  (5)：
  • 3-(3,4-ジヒドロキシフェニル)プロペン酸エチル
  • 3,4-ジヒドロキシベンゼンアクリル酸エチル
  • 3-(3,4-ジヒドロキシフェニル)アクリル酸エチル
  • エチル 3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (6)：
  • カフェー酸エチル
  • Caffeic acid ethyl ester
  • 3-(3,4-Dihydroxyphenyl)propenoic acid ethyl ester
  • 3,4-Dihydroxybenzeneacrylic acid ethyl ester
  • Ethyl caffeate
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CAS registry number： 102-37-4
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