9Z,12Z-Octadecadien-6-ynoic acid

Base Information

• Chemical Name: 9Z,12Z-Octadecadien-6-ynoic acid
• CAS No.: 56795-52-9
• Molecular Formula: C18H28O2
• Molecular Weight: 276.419
• DSSTox Substance ID: DTXSID001281637
• Wikidata: Q27159198
• Metabolomics Workbench ID: 1077
• Mol file: 56795-52-9.mol

Synonyms:9Z,12Z-Octadecadien-6-ynoic acid;(9Z,12Z)-octadeca-9,12-dien-6-ynoic acid;all-cis-9,12-octadecadien-6-ynoic acid;LMFA01030734;CHEBI:86506;DTXSID001281637;56795-52-9;(9Z,12Z)-9,12-Octadecadien-6-ynoic acid;Q27159198

Chemical Property of 9Z,12Z-Octadecadien-6-ynoic acid

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 276.208930132
• Heavy Atom Count: 20
• Complexity: 352

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC=CCC=CCC#CCCCCC(=O)O
• Isomeric SMILES: CCCCC/C=C\C/C=C\CC#CCCCCC(=O)O