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CHEBI:86557 - methyl 4-acetoxy-3-methoxybenzoate

ChEBI IDCHEBI:86557
ChEBI Namemethyl 4-acetoxy-3-methoxybenzoate
Stars
DefinitionA benzoate ester that is methyl benzoate substituted by an acetoxy group at position 4 and a methoxy group at position 3 respectively.
Last Modified3 April 2018
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCOC(=O)c1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C11H12O5/c1-7(12)16-9-5-4-8(11(13)15-3)6-10(9)14-2/h4-6H,1-3H3
InChIKeyBHQRCCUOSHDJQC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 4-acetoxy-3-methoxybenzoate (CHEBI:86557) has functional parent methyl vanillate (CHEBI:46477)
methyl 4-acetoxy-3-methoxybenzoate (CHEBI:86557) is a benzoate ester (CHEBI:36054)
methyl 4-acetoxy-3-methoxybenzoate (CHEBI:86557) is a monomethoxybenzene (CHEBI:25235)
methyl 4-acetoxy-3-methoxybenzoate (CHEBI:86557) is a phenyl acetates (CHEBI:140310)
IUPAC Name 
methyl 4-(acetyloxy)-3-methoxybenzoate
Synonym  Source
4-(acetyloxy)-3-methoxybenzoic acid methyl esterChEBI
Registry NumbersSources
Reaxys:2464785Reaxys