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English
Ethyl isoferulate
chemical compound
(E)-3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid ethyl ester
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Statements
instance of
type of chemical entity
0 references
subclass of
alkyl caffeate ester
1 reference
based on heuristic
inferred from SMILES
mass
222.089208928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄O₄
0 references
canonical SMILES
CCOC(=O)/C=C/c1ccc(OC)c(O)c1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCOC(=O)/C=C/c1ccc(OC)c(O)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-11(15-2)10(13)8-9/h4-8,13H,3H2,1-2H3/b7-5+
0 references
InChIKey
ONOCGKVKAPMGRX-FNORWQNLSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
155401-23-3
0 references
PubChem CID
21080040
1 reference
matched by identifier from
InChIKey
InChIKey
ONOCGKVKAPMGRX-FNORWQNLSA-N
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