CHEBI:20450 - 4-methylsalicylic acid

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ChEBI Name 4-methylsalicylic acid
ChEBI ID CHEBI:20450
Definition A monohydroxybenzoic acid consisting of salicylic acid having a methyl group at the 4-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H8O3
Net Charge 0
Average Mass 152.14730
Monoisotopic Mass 152.04734
InChI InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
InChIKey NJESAXZANHETJV-UHFFFAOYSA-N
SMILES Cc1ccc(C(O)=O)c(O)c1
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 4-methylsalicylic acid (CHEBI:20450) has functional parent salicylic acid (CHEBI:16914)
4-methylsalicylic acid (CHEBI:20450) is a monohydroxybenzoic acid (CHEBI:25389)
Synonyms Sources
2,4-Cresotic acid NIST Chemistry WebBook
2-Hydroxy-4-methylbenzoic acid ChemIDplus
2-Hydroxy-4-methylbenzoic acid KEGG COMPOUND
2-Hydroxy-p-toluic acid ChemIDplus
4-Methyl-2-hydroxybenzoic acid ChemIDplus
γ-cresotic acid NIST Chemistry WebBook
gamma-Cresotic acid ChemIDplus
m-Cresotic acid KEGG COMPOUND
m-Cresotinic acid ChemIDplus
m-Homosalicylic acid ChemIDplus
Manual Xref Database
C14103 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2208140 Reaxys Registry Number Reaxys
50-85-1 CAS Registry Number NIST Chemistry WebBook
50-85-1 CAS Registry Number ChemIDplus
Last Modified
13 July 2016