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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:36632 -
o
-toluic acid
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ChEBI Name
o
-toluic acid
ChEBI ID
CHEBI:36632
ChEBI ASCII Name
o-toluic acid
Definition
A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10610, CHEBI:19782
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Formula
C8H8O2
Net Charge
0
Average Mass
136.14792
Monoisotopic Mass
136.05243
InChI
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
ZWLPBLYKEWSWPD-UHFFFAOYSA-N
SMILES
Cc1ccccc1C(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):
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
o
-toluic acid (
CHEBI:36632
)
has role
xenobiotic metabolite (
CHEBI:76206
)
o
-toluic acid (
CHEBI:36632
)
is a
methylbenzoic acid (
CHEBI:25280
)
o
-toluic acid (
CHEBI:36632
)
is conjugate acid of
o
-toluate (
CHEBI:28872
)
Incoming
o
-toluate (
CHEBI:28872
)
is conjugate base of
o
-toluic acid (
CHEBI:36632
)
IUPAC Name
2-methylbenzoic acid
Synonyms
Sources
2-Methylbenzoic acid
KEGG COMPOUND
2-toluic acid
ChEBI
o-Toluic Acid
KEGG COMPOUND
o-Toluylic acid
ChEBI
Orthotoluic acid
ChEBI
Manual Xrefs
Databases
C07215
KEGG COMPOUND
HMDB0002340
HMDB
O-Toluic_acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
1072103
Reaxys Registry Number
Reaxys
118-90-1
CAS Registry Number
KEGG COMPOUND
118-90-1
CAS Registry Number
NIST Chemistry WebBook
118-90-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16012080
PubMed citation
Europe PMC
21793062
PubMed citation
Europe PMC
23608356
PubMed citation
Europe PMC
Last Modified
23 October 2015