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CHEBI:64824 - 2,3-dimethylbenzoate

ChEBI IDCHEBI:64824
ChEBI Name2,3-dimethylbenzoate
Stars
DefinitionA dimethylbenzoate in which the two methyl groups are located at positions 2 and 3.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC9H9O2
Net Charge-1
Average Mass149.169
Monoisotopic Mass149.06080
SMILESCc1cccc(C(=O)[O-])c1C
InChIInChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)/p-1
InChIKeyRIZUCYSQUWMQLX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,3-dimethylbenzoate (CHEBI:64824) has functional parent benzoate (CHEBI:16150)
2,3-dimethylbenzoate (CHEBI:64824) is a dimethylbenzoate (CHEBI:64813)
2,3-dimethylbenzoate (CHEBI:64824) is conjugate base of 2,3-dimethylbenzoic acid (CHEBI:64823)
Incoming Relation(s)
2,3-dimethylbenzoic acid (CHEBI:64823) is conjugate acid of 2,3-dimethylbenzoate (CHEBI:64824)
IUPAC Name 
2,3-dimethylbenzoate
Synonyms  Source
2,3-dimethylbenzoate anionChEBI
hemellitateChEBI
Registry NumbersSources
Reaxys:3664580Reaxys