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CHEBI:70733 - 3,6-dimethylsalicylic acid
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ChEBI Name
3,6-dimethylsalicylic acid
ChEBI ID
CHEBI:70733
Definition
A monohydroxybenzoic acid consisting of salicylic acid carrying two methyl groups at the 3 and 6 positions.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H10O3
Net Charge
0
Average Mass
166.17390
Monoisotopic Mass
166.06299
InChI
InChI=1S/C9H10O3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3,(H,11,12)
InChIKey
SDQFDFFLPQFIHQ-UHFFFAOYSA-N
SMILES
Cc1ccc(C)c(C(O)=O)c1O
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
3,6-dimethylsalicylic acid (
CHEBI:70733
)
has functional parent
salicylic acid (
CHEBI:16914
)
3,6-dimethylsalicylic acid (
CHEBI:70733
)
is a
monohydroxybenzoic acid (
CHEBI:25389
)
Incoming
polyketomycin (
CHEBI:66771
)
has functional parent
3,6-dimethylsalicylic acid (
CHEBI:70733
)
IUPAC Name
2-hydroxy-3,6-dimethylbenzoic acid
Last Modified
23 October 2012