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CHEBI:64812 - 2,4-dimethylbenzoate

ChEBI IDCHEBI:64812
ChEBI Name2,4-dimethylbenzoate
Stars
DefinitionA dimethylbenzoate in which the two methyl groups are located at positions 2 and 4.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC9H9O2
Net Charge-1
Average Mass149.169
Monoisotopic Mass149.06080
SMILESCc1ccc(C(=O)[O-])c(C)c1
InChIInChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)/p-1
InChIKeyBKYWPNROPGQIFZ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,4-dimethylbenzoate (CHEBI:64812) has functional parent benzoate (CHEBI:16150)
2,4-dimethylbenzoate (CHEBI:64812) is a dimethylbenzoate (CHEBI:64813)
2,4-dimethylbenzoate (CHEBI:64812) is conjugate base of 2,4-dimethylbenzoic acid (CHEBI:64811)
Incoming Relation(s)
2,4-dimethylbenzoic acid (CHEBI:64811) is conjugate acid of 2,4-dimethylbenzoate (CHEBI:64812)
IUPAC Name 
2,4-dimethylbenzoate
Synonym  Source
2,4-dimethylbenzoate anionChEBI
Registry NumbersSources
Reaxys:3905216Reaxys