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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:10589 -
m
-toluic acid
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ChEBI Name
m
-toluic acid
ChEBI ID
CHEBI:10589
ChEBI ASCII Name
m-toluic acid
Definition
A methylbenzoic acid carrying a methyl substituent at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C8H8O2
Net Charge
0
Average Mass
136.14790
Monoisotopic Mass
136.05243
InChI
InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
GPSDUZXPYCFOSQ-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)C(O)=O
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):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
m
-toluic acid (
CHEBI:10589
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
m
-toluic acid (
CHEBI:10589
)
is a
methylbenzoic acid (
CHEBI:25280
)
m
-toluic acid (
CHEBI:10589
)
is conjugate acid of
m
-toluate (
CHEBI:28795
)
Incoming
N
,
N
-diethyl-
m
-toluamide (
CHEBI:7071
)
has functional parent
m
-toluic acid (
CHEBI:10589
)
m
-toluate (
CHEBI:28795
)
is conjugate base of
m
-toluic acid (
CHEBI:10589
)
IUPAC Name
3-methylbenzoic acid
Synonyms
Sources
3-toluic acid
ChemIDplus
beta-Bethylbenzoic acid
KEGG COMPOUND
beta-Methylbenzoic acid
ChemIDplus
m-Toluic Acid
KEGG COMPOUND
m-Toluylic acid
KEGG COMPOUND
meta-Toluic acid
ChemIDplus
Manual Xrefs
Databases
C07211
KEGG COMPOUND
CPD-8775
MetaCyc
M-Toluic_acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
970526
Reaxys Registry Number
Reaxys
99-04-7
CAS Registry Number
KEGG COMPOUND
99-04-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11339298
PubMed citation
Europe PMC
11470206
PubMed citation
Europe PMC
22251573
PubMed citation
Europe PMC
22451532
PubMed citation
Europe PMC
2489427
PubMed citation
Europe PMC
Last Modified
16 July 2015