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CHEBI:36632 - o-toluic acid

ChEBI IDCHEBI:36632
ChEBI Nameo-toluic acid
Stars
ASCII Nameo-toluic acid
DefinitionA methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2.
Secondary ChEBI IDsCHEBI:10610, CHEBI:19782
Last Modified23 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H8O2
Net Charge0
Average Mass136.150
Monoisotopic Mass136.05243
SMILESCc1ccccc1C(=O)O
InChIInChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyZWLPBLYKEWSWPD-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
o-toluate (CHEBI:28872) is conjugate base of o-toluic acid (CHEBI:36632)
IUPAC Name 
2-methylbenzoic acid
Synonyms  Source
o-Toluic AcidKEGG COMPOUND
2-toluic acidChEBI
2-Methylbenzoic acidKEGG COMPOUND
Orthotoluic acidChEBI
o-Toluylic acidChEBI
Manual XrefsDatabases
C07215KEGG COMPOUND
O-Toluic_acidWikipedia
HMDB0002340HMDB
Registry NumbersSources
Reaxys:1072103Reaxys
CAS:118-90-1KEGG COMPOUND
CAS:118-90-1ChemIDplus
CAS:118-90-1NIST Chemistry WebBook
Citations