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 136.052
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 (Bronsted base).
(via oxoacid )
Biological Role(s): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
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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
Database Links Databases
C07215 KEGG COMPOUND
HMDB0002340 HMDB
O-Toluic_acid Wikipedia
View more database links
Registry Numbers Types Sources
1072103 Reaxys Registry Number Reaxys
1072103 Beilstein Registry Number Beilstein
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 Waiting for Citations Types Sources
16012080 PubMed citation Europe PMC
21793062 PubMed citation Europe PMC
23608356 PubMed citation Europe PMC
Last Modified
23 October 2015