CHEBI:64811 - 2,4-dimethylbenzoic acid

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ChEBI Name 2,4-dimethylbenzoic acid
Definition A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H10O2
Net Charge 0
Average Mass 150.17450
Monoisotopic Mass 150.06808
InChI InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)
SMILES Cc1ccc(C(O)=O)c(C)c1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 2,4-dimethylbenzoate (CHEBI:64812) is conjugate base of 2,4-dimethylbenzoic acid (CHEBI:64811)
2,4-dimethylbenzoic acid
Synonym Source
4-carboxy-1,3-dimethylbenzene NIST Chemistry WebBook
Registry Numbers Types Sources
611-01-8 CAS Registry Number NIST Chemistry WebBook
611-01-8 CAS Registry Number ChemIDplus
971589 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17439666 PubMed citation Europe PMC
Last Modified
23 July 2012