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CHEBI:64828 - 2,6-dimethylbenzoate

ChEBI IDCHEBI:64828
ChEBI Name2,6-dimethylbenzoate
Stars
DefinitionA dimethylbenzoate in which the two methyl groups are located at positions 2 and 6.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC9H9O2
Net Charge-1
Average Mass149.169
Monoisotopic Mass149.06080
SMILESCc1cccc(C)c1C(=O)[O-]
InChIInChI=1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)/p-1
InChIKeyHCBHQDKBSKYGCK-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,6-dimethylbenzoate (CHEBI:64828) has functional parent benzoate (CHEBI:16150)
2,6-dimethylbenzoate (CHEBI:64828) is a dimethylbenzoate (CHEBI:64813)
2,6-dimethylbenzoate (CHEBI:64828) is conjugate base of 2,6-dimethylbenzoic acid (CHEBI:64827)
Incoming Relation(s)
2,6-dimethylbenzoic acid (CHEBI:64827) is conjugate acid of 2,6-dimethylbenzoate (CHEBI:64828)
IUPAC Name 
2,6-dimethylbenzoate
Synonym  Source
2,6-dimethylbenzoate anionChEBI
Registry NumbersSources
Reaxys:3664819Reaxys