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CHEBI:86547 - 3,4,5-trimethoxyacetophenone
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ChEBI Ontology
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ChEBI Name
3,4,5-trimethoxyacetophenone
ChEBI ID
CHEBI:86547
Definition
A member of the class of acetophenones that is acetophenone substituted by methoxy groups at positions 3, 4 and 5 respectively.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C11H14O4
Net Charge
0
Average Mass
210.22650
Monoisotopic Mass
210.08921
InChI
InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
InChIKey
VUGQIIQFXCXZJU-UHFFFAOYSA-N
SMILES
COc1cc(cc(OC)c1OC)C(C)=O
ChEBI Ontology
Outgoing
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 Numbers
Types
Sources
1136-86-3
CAS Registry Number
ChemIDplus
1136-86-3
CAS Registry Number
NIST Chemistry WebBook
1463133
Reaxys Registry Number
Reaxys
Last Modified
20 July 2015