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CHEBI:87459 - 3,4-dimethylindole-2-carboxylic acid

ChEBI IDCHEBI:87459
ChEBI Name3,4-dimethylindole-2-carboxylic acid
Stars
DefinitionA member of the class of indolecarboxylic acids that is indole-2-carboxylic acid carrying two methyl substituents at positions 3 and 4.
Last Modified12 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC11H11NO2
Net Charge0
Average Mass189.214
Monoisotopic Mass189.07898
SMILESCc1cccc2nc(C(=O)O)c(C)c12
InChIInChI=1S/C11H11NO2/c1-6-4-3-5-8-9(6)7(2)10(12-8)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyAYWHJTCRGGXKSW-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)
3,4-dimethylindole-2-carboxylic acid (CHEBI:87459) is a indolecarboxylic acid (CHEBI:38610)
3,4-dimethylindole-2-carboxylic acid (CHEBI:87459) is conjugate acid of 3,4-dimethylindole-2-carboxylate (CHEBI:87160)
Incoming Relation(s)
3,4-dimethylindole-2-carboxylate (CHEBI:87160) is conjugate base of 3,4-dimethylindole-2-carboxylic acid (CHEBI:87459)
IUPAC Name 
3,4-dimethyl-1H-indole-2-carboxylic acid
Synonym  Source
3,4-dimethyl-2-indolic acidChEBI