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CHEBI:64822 - 3,5-dimethylbenzoate

ChEBI IDCHEBI:64822
ChEBI Name3,5-dimethylbenzoate
Stars
DefinitionA dimethylbenzoate in which the two methyl groups are located at positions 3 and 5.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC9H9O2
Net Charge-1
Average Mass149.169
Monoisotopic Mass149.06080
SMILESCc1cc(C)cc(C(=O)[O-])c1
InChIInChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)/p-1
InChIKeyUMVOQQDNEYOJOK-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,5-dimethylbenzoate (CHEBI:64822) has functional parent benzoate (CHEBI:16150)
3,5-dimethylbenzoate (CHEBI:64822) is a dimethylbenzoate (CHEBI:64813)
3,5-dimethylbenzoate (CHEBI:64822) is conjugate base of 3,5-dimethylbenzoic acid (CHEBI:64821)
Incoming Relation(s)
3,5-dimethylbenzoic acid (CHEBI:64821) is conjugate acid of 3,5-dimethylbenzoate (CHEBI:64822)
IUPAC Name 
3,5-dimethylbenzoate
Synonyms  Source
3,5-dimethylbenzoate anionChEBI
mesitylenateChEBI
Registry NumbersSources
Reaxys:3904795Reaxys