CHEBI:51749 - methyl non-2-ynoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl non-2-ynoate
ChEBI ID CHEBI:51749
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H16O2
Net Charge 0
Average Mass 168.23284
Monoisotopic Mass 168.11503
InChI InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3
InChIKey NTLJTUMJJWVCTL-UHFFFAOYSA-N
SMILES CCCCCCC#CC(=O)OC
ChEBI Ontology
Outgoing methyl non-2-ynoate (CHEBI:51749) is a ynoate ester (CHEBI:51743)
Synonyms Sources
1-Octynecarboxylic acid, methyl ester NIST Chemistry WebBook
2-Nonynoic acid methyl ester ChemIDplus
Methyl 2-nonynoate ChemIDplus
methyl non-2-ynoate ChemIDplus
Methyl octyne carbonate ChemIDplus
Methyloctyne carboxylate ChemIDplus
Registry Numbers Types Sources
111-80-8 CAS Registry Number NIST Chemistry WebBook
111-80-8 CAS Registry Number ChemIDplus
1759870 Beilstein Registry Number Beilstein
Last Modified
03 February 2009