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CHEBI:73511 - hex-5-ynoic acid

ChEBI IDCHEBI:73511
ChEBI Namehex-5-ynoic acid
Stars
DefinitionA hexynoic acid in which the triple bond is between the carbons at positions 5 and 6.
Last Modified3 May 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC6H8O2
Net Charge0
Average Mass112.128
Monoisotopic Mass112.05243
SMILESC#CCCCC(=O)O
InChIInChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)
InChIKeyVPFMEXRVUOPYRG-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)
hex-5-ynoic acid (CHEBI:73511) is a hexynoic acid (CHEBI:48444)
hex-5-ynoic acid (CHEBI:73511) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
hex-5-ynoic acid
Synonym  Source
5-hexynoic acidChEBI
Registry NumbersSources
Reaxys:1743192Reaxys
CAS:53293-00-8ChemIDplus
CAS:53293-00-8NIST Chemistry WebBook
Citations