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CHEBI:49223 - 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid

ChEBI IDCHEBI:49223
ChEBI Name4-(2-carboxyphenyl)-2-oxobut-3-enoic acid
Stars
Last Modified1 July 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H8O5
Net Charge0
Average Mass220.180
Monoisotopic Mass220.03717
SMILES[H]C(=Cc1ccccc1C(=O)O)C(=O)C(=O)O
InChIInChI=1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)
InChIKeyAPKXMKWCGDBYNV-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)
4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49223) has functional parent benzoic acid (CHEBI:30746)
4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49223) has functional parent but-3-enoic acid (CHEBI:35897)
4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49223) is a oxo carboxylic acid (CHEBI:25754)
Incoming Relation(s)
(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49222) is a 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49223)
trans-2-carboxybenzylidenepyruvic acid (CHEBI:15612) is a 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49223)
IUPAC Name 
2-(3-carboxy-3-oxoprop-1-en-1-yl)benzoic acid
Synonyms  Source
2'-CarboxybenzalpyruvateChemIDplus
2-CbapChemIDplus
Registry NumbersSources
CAS:85896-59-9ChemIDplus