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CHEBI:71214 - 4-methoxy-4-oxo-3-phenylbutanoic acid

ChEBI IDCHEBI:71214
ChEBI Name4-methoxy-4-oxo-3-phenylbutanoic acid
Stars
DefinitionA dicarboxylic acid monoester that is methyl succinate substituted at position 2 by a phenyl group.
Last Modified3 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCOC(=O)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C11H12O4/c1-15-11(14)9(7-10(12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)
InChIKeyKFUIOHIUIZFOOW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-methoxy-4-oxo-3-phenylbutanoic acid (CHEBI:71214) has functional parent succinic acid (CHEBI:15741)
4-methoxy-4-oxo-3-phenylbutanoic acid (CHEBI:71214) is a dicarboxylic acid monoester (CHEBI:36244)
4-methoxy-4-oxo-3-phenylbutanoic acid (CHEBI:71214) is a methyl ester (CHEBI:25248)
4-methoxy-4-oxo-3-phenylbutanoic acid (CHEBI:71214) is conjugate acid of 4-methoxy-4-oxo-3-phenylbutanoate (CHEBI:71190)
Incoming Relation(s)
4-methoxy-4-oxo-3-phenylbutanoate (CHEBI:71190) is conjugate base of 4-methoxy-4-oxo-3-phenylbutanoic acid (CHEBI:71214)
IUPAC Name 
4-methoxy-4-oxo-3-phenylbutanoic acid
Synonyms  Source
3-methoxycarbonyl-3-phenylbutyric acidChEBI
4-methoxy-4-oxo-3-phenylbutyric acidChEBI
3-methoxycarbonyl-3-phenylbutanoic acidChEBI
1-methyl 2-phenylsuccinateChEBI
Registry NumbersSources
Reaxys:1971098Reaxys
CAS:54897-85-7Reaxys