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CHEBI:132244 - (E)-3-(indol-3-yl)acrylic acid

ChEBI IDCHEBI:132244
ChEBI Name(E)-3-(indol-3-yl)acrylic acid
Stars
ASCII Name(E)-3-(indol-3-yl)acrylic acid
DefinitionAn α,β-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-3-yl group.
Last Modified23 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC11H9NO2
Net Charge0
Average Mass187.198
Monoisotopic Mass187.06333
SMILESO=C(O)/C=C/c1cnc2ccccc12
InChIInChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
InChIKeyPLVPPLCLBIEYEA-AATRIKPKSA-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)
(E)-3-(indol-3-yl)acrylic acid (CHEBI:132244) has functional parent acrylic acid (CHEBI:18308)
(E)-3-(indol-3-yl)acrylic acid (CHEBI:132244) is a indoles (CHEBI:24828)
(E)-3-(indol-3-yl)acrylic acid (CHEBI:132244) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
(E)-3-(indol-3-yl)acrylic acid (CHEBI:132244) is conjugate acid of (E)-3-(indol-3-yl)acrylate(1−) (CHEBI:131929)
Incoming Relation(s)
(E)-3-(indol-3-yl)acrylate(1−) (CHEBI:131929) is conjugate base of (E)-3-(indol-3-yl)acrylic acid (CHEBI:132244)
IUPAC Name 
(2E)-3-(1H-indol-3-yl)prop-2-enoic acid
Synonyms  Source
Indole-3-acrylic acidChemIDplus
trans-3-Indoleacrylic acidChemIDplus
trans-beta-Indoleacrylic acidChemIDplus
Indoleacrylic acidChemIDplus
3-indoleacrylic acidChEBI
indole-3β-acrylic acidMetaCyc
Manual XrefsDatabases
CPD-11578MetaCyc
Registry NumbersSources
Reaxys:6317Reaxys
CAS:29953-71-7ChemIDplus
Citations