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InChI=1S/CH4O/c1-2/h2H,1H3
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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.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
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