3-Dodecynoic acid (CHEBI:165464)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-Dodecynoic acid

ChEBI ID	CHEBI:165464

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H20O2

Net Charge

Average Mass

196.290

Monoisotopic Mass

196.14633

InChI

InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-8,11H2,1H3,(H,13,14)

InChIKey

ANKCBJRFNIWGKQ-UHFFFAOYSA-N

SMILES

OC(=O)CC#CCCCCCCCC

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	3-Dodecynoic acid (CHEBI:165464) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

dodec-3-ynoic acid