p-toluic acid (CHEBI:36635)

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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

Supplier Information	ZINC000000902108

Download	Molfile XML SDF

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Wikipedia	License
p-Toluic acid (4-methylbenzoic acid) is a substituted benzoic acid with the formula CH3C6H4CO2H. It is a white solid that is poorly soluble in water but soluble in acetone. A laboratory route to p-toluic acid involves oxidation of p-cymene with nitric acid.
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Formulae

C8H8O2
C8H8O2

Net Charge

Average Mass

136.14790

Monoisotopic Mass

136.05243

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 )

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

Citations

Last Modified

23 October 2015