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CHEBI:86579 - 4-acetoxy-3-methoxy-trans-cinnamaldehyde

ChEBI IDCHEBI:86579
ChEBI Name4-acetoxy-3-methoxy-trans-cinnamaldehyde
Stars
ASCII Name4-acetoxy-3-methoxy-trans-cinnamaldehyde
DefinitionA member of the class of cinnamaldehydes that is cinnamaldehyde substituted by an acetoxy group at position 4 and a methoxy group at position 3 respectively.
Last Modified3 April 2018
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESCOc1cc(/C=C/C=O)ccc1OC(C)=O
InChIInChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+
InChIKeyVEKAJHBFBMWJKI-ONEGZZNKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-acetoxy-3-methoxy-trans-cinnamaldehyde (CHEBI:86579) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
4-acetoxy-3-methoxy-trans-cinnamaldehyde (CHEBI:86579) is a cinnamaldehydes (CHEBI:23245)
4-acetoxy-3-methoxy-trans-cinnamaldehyde (CHEBI:86579) is a monomethoxybenzene (CHEBI:25235)
4-acetoxy-3-methoxy-trans-cinnamaldehyde (CHEBI:86579) is a phenyl acetates (CHEBI:140310)
IUPAC Name 
2-methoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl acetate
Synonyms  Source
acetylated coniferylaldehydeChEBI
4-(2-Formylvinyl)-2-methoxyphenyl acetateChemIDplus
Registry NumbersSources
Reaxys:3136435Reaxys
CAS:65401-83-4ChemIDplus