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CHEBI:194824 - 5-Hex-1-ynylnicotinic acid

Default Structure
ChEBI IDCHEBI:194824
ChEBI Name5-Hex-1-ynylnicotinic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NO2
Net Charge0
Average Mass203.241
Monoisotopic Mass203.09463
SMILESCCCCC#Cc1cncc(C(=O)O)c1
InChIInChI=1S/C12H13NO2/c1-2-3-4-5-6-10-7-11(12(14)15)9-13-8-10/h7-9H,2-4H2,1H3,(H,14,15)
InChIKeyFKWDNFDBDZUPIQ-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)
5-Hex-1-ynylnicotinic acid (CHEBI:194824) is a aromatic carboxylic acid (CHEBI:33859)
5-Hex-1-ynylnicotinic acid (CHEBI:194824) is a pyridines (CHEBI:26421)
IUPAC Name 
5-hex-1-ynylpyridine-3-carboxylic acid
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