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CHEBI:86547 - 3,4,5-trimethoxyacetophenone

ChEBI IDCHEBI:86547
ChEBI Name3,4,5-trimethoxyacetophenone
Stars
DefinitionA member of the class of acetophenones that is acetophenone substituted by methoxy groups at positions 3, 4 and 5 respectively.
Last Modified20 July 2015
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESCOc1cc(C(C)=O)cc(OC)c1OC
InChIInChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
InChIKeyVUGQIIQFXCXZJU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trimethoxyacetophenone (CHEBI:86547) has functional parent acetophenone (CHEBI:27632)
3,4,5-trimethoxyacetophenone (CHEBI:86547) is a acetophenones (CHEBI:22187)
3,4,5-trimethoxyacetophenone (CHEBI:86547) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
1-(3,4,5-trimethoxyphenyl)ethan-1-one
Registry NumbersSources
Reaxys:1463133Reaxys
CAS:1136-86-3ChemIDplus
CAS:1136-86-3NIST Chemistry WebBook