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CHEBI:72814 - indole-1-acetic acid

ChEBI IDCHEBI:72814
ChEBI Nameindole-1-acetic acid
Stars
DefinitionAn indolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an indol-1-yl group.
Last Modified20 March 2013
SubmitterSBeisken
DownloadsMolfile
FormulaC10H9NO2
Net Charge0
Average Mass175.187
Monoisotopic Mass175.06333
SMILESO=C(O)Cn1ccc2ccccc21
InChIInChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13)
InChIKeyWQJFIWXYPKYBTO-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)
indole-1-acetic acid (CHEBI:72814) has functional parent acetic acid (CHEBI:15366)
indole-1-acetic acid (CHEBI:72814) is a indolyl carboxylic acid (CHEBI:46867)
indole-1-acetic acid (CHEBI:72814) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
1H-indol-1-ylacetic acid
Synonym  Source
1H-Indole-1-acetic acidChemIDplus
Registry NumbersSources
Reaxys:142924Reaxys
CAS:24297-59-4ChemIDplus