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> Main
CHEBI:64811 - 2,4-dimethylbenzoic acid
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ChEBI Name
2,4-dimethylbenzoic acid
ChEBI ID
CHEBI:64811
Definition
A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 4.
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This entity has been manually annotated by the ChEBI Team.
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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)
InChIKey
BKYWPNROPGQIFZ-UHFFFAOYSA-N
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 (Br
o
nsted 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.
View more via ChEBI Ontology
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
)
IUPAC Name
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
Type
Source
17439666
PubMed citation
Europe PMC
Last Modified
23 July 2012