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CHEBI:70733 - 3,6-dimethylsalicylic acid

ChEBI IDCHEBI:70733
ChEBI Name3,6-dimethylsalicylic acid
Stars
DefinitionA monohydroxybenzoic acid consisting of salicylic acid carrying two methyl groups at the 3 and 6 positions.
Last Modified23 October 2012
Submitternamrata
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILESCc1ccc(C)c(C(=O)O)c1O
InChIInChI=1S/C9H10O3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3,(H,11,12)
InChIKeySDQFDFFLPQFIHQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
polyketomycin (CHEBI:66771) has functional parent 3,6-dimethylsalicylic acid (CHEBI:70733)
IUPAC Name 
2-hydroxy-3,6-dimethylbenzoic acid