CHEBI:51889 - cyanoacetic acid

ChEBI IDCHEBI:51889
ChEBI Namecyanoacetic acid
Stars
DefinitionA monocarboxylic acid that consists of acetic acid bearing a cyano substituent.
Last Modified10 January 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC3H3NO2
Net Charge0
Average Mass85.062
Monoisotopic Mass85.01638
SMILESN#CCC(=O)O
InChIInChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)
InChIKeyMLIREBYILWEBDM-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)
cyanoacetic acid (CHEBI:51889) has functional parent acetic acid (CHEBI:15366)
cyanoacetic acid (CHEBI:51889) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
cyanoacetate ester (CHEBI:51888) has functional parent cyanoacetic acid (CHEBI:51889)
IUPAC Name 
cyanoacetic acid
Synonyms  Source
Acide cyanacetiqueChemIDplus
CyanessigsäureChemIDplus
cyanoethanoic acidChEBI
Malonic acid mononitrileChemIDplus
Malonic mononitrileChemIDplus
Registry NumbersSources
Reaxys:506325Reaxys
CAS:372-09-8ChemIDplus
CAS:372-09-8NIST Chemistry WebBook
Citations