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CHEBI:64811 - 2,4-dimethylbenzoic acid

ChEBI IDCHEBI:64811
ChEBI Name2,4-dimethylbenzoic acid
Stars
DefinitionA dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 4.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
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)
InChIKeyBKYWPNROPGQIFZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2,4-dimethylbenzoic acid (CHEBI:64811) has functional parent benzoic acid (CHEBI:30746)
2,4-dimethylbenzoic acid (CHEBI:64811) has role metabolite (CHEBI:25212)
2,4-dimethylbenzoic acid (CHEBI:64811) is a dimethylbenzoic acid (CHEBI:64810)
2,4-dimethylbenzoic acid (CHEBI:64811) is conjugate acid of 2,4-dimethylbenzoate (CHEBI:64812)
Incoming Relation(s)
2,4-dimethylbenzoate (CHEBI:64812) is conjugate base of 2,4-dimethylbenzoic acid (CHEBI:64811)
IUPAC Name 
2,4-dimethylbenzoic acid
Synonym  Source
4-carboxy-1,3-dimethylbenzeneNIST Chemistry WebBook
Registry NumbersSources
Reaxys:971589Reaxys
CAS:611-01-8ChemIDplus
CAS:611-01-8NIST Chemistry WebBook
Citations