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CHEBI:64826 - 2,5-dimethylbenzoate

ChEBI IDCHEBI:64826
ChEBI Name2,5-dimethylbenzoate
Stars
DefinitionA dimethylbenzoate in which the two methyl groups are located at positions 2 and 5.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC9H9O2
Net Charge-1
Average Mass149.169
Monoisotopic Mass149.06080
SMILESCc1ccc(C)c(C(=O)[O-])c1
InChIInChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)/p-1
InChIKeyXZRHNAFEYMSXRG-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,5-dimethylbenzoate (CHEBI:64826) has functional parent benzoate (CHEBI:16150)
2,5-dimethylbenzoate (CHEBI:64826) is a dimethylbenzoate (CHEBI:64813)
2,5-dimethylbenzoate (CHEBI:64826) is conjugate base of 2,5-dimethylbenzoic acid (CHEBI:64825)
Incoming Relation(s)
2,5-dimethylbenzoic acid (CHEBI:64825) is conjugate acid of 2,5-dimethylbenzoate (CHEBI:64826)
IUPAC Name 
2,5-dimethylbenzoate
Synonym  Source
2,5-dimethylbenzoate anionChEBI
Registry NumbersSources
Reaxys:6390452Reaxys