propyl 2-heptynoate (CHEBI:195797)

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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	propyl 2-heptynoate

ChEBI ID	CHEBI:195797

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H16O2

Net Charge

Average Mass

168.236

Monoisotopic Mass

168.11503

InChI

InChI=1S/C10H16O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-6,9H2,1-2H3

InChIKey

ZRBPUEOLDSVZMI-UHFFFAOYSA-N

SMILES

O(CCC)C(=O)C#CCCCC

ChEBI Ontology
Outgoing	propyl 2-heptynoate (CHEBI:195797) is a fatty acid ester (CHEBI:35748)

IUPAC Name

propyl hept-2-ynoate