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

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ChEBI Name 3,4-dimethylindole-2-carboxylic acid ChEBI ID CHEBI:87459 Definition A member of the class of indolecarboxylic acids that is indole-2-carboxylic acid carrying two methyl substituents at positions 3 and 4. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H11NO2 Net Charge 0 Average Mass 189.21050 Monoisotopic Mass 189.07898 InChI InChI=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) InChIKey AYWHJTCRGGXKSW-UHFFFAOYSA-N SMILES Cc1c([nH]c2cccc(C)c12)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 acid ChEBI Last Modified 12 August 2015