CHEBI:36635 - p-toluic acid

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ChEBI Name p-toluic acid
ChEBI ID CHEBI:36635
ChEBI ASCII Name p-toluic acid
Definition A methylbenzoic acid in which the methyl substituent is located at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20482, CHEBI:9623, CHEBI:47121
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Formulae C8H8O2
C8H8O2
Net Charge 0
Average Mass 136.14790
Monoisotopic Mass 136.052
InChI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey LPNBBFKOUUSUDB-UHFFFAOYSA-N
SMILES Cc1ccc(cc1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing p-toluic acid (CHEBI:36635) is a methylbenzoic acid (CHEBI:25280)
p-toluic acid (CHEBI:36635) is conjugate acid of p-toluate (CHEBI:28856)
Incoming p-toluate (CHEBI:28856) is conjugate base of p-toluic acid (CHEBI:36635)
IUPAC Name
4-methylbenzoic acid
Synonyms Sources
4-Methylbenzoic acid KEGG COMPOUND
4-Toluic acid ChemIDplus
Crithminic acid KEGG COMPOUND
p-Carboxytoluene ChemIDplus
p-Methylbenzoic acid ChemIDplus
p-Toluic acid KEGG COMPOUND
p-Toluylic acid ChemIDplus
para-Toluic acid NIST Chemistry WebBook
Toluenecarboxylic acid KEGG COMPOUND
Database Links Databases
4MA PDBeChem
C01454 KEGG COMPOUND
HMDB0029635 HMDB
P-toluic_acid Wikipedia
View more database links
Registry Numbers Types Sources
507600 Reaxys Registry Number Reaxys
507600 Beilstein Registry Number Beilstein
99-94-5 CAS Registry Number KEGG COMPOUND
99-94-5 CAS Registry Number NIST Chemistry WebBook
99-94-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11876420 PubMed citation Europe PMC
21978560 PubMed citation Europe PMC
Last Modified
23 October 2015