6-Octynoic acid, 3-oxo-, methyl ester

Base Information

• Chemical Name: 6-Octynoic acid, 3-oxo-, methyl ester
• CAS No.: 62344-15-4
• Molecular Formula: C9H12O3
• Molecular Weight: 168.192
• DSSTox Substance ID: DTXSID70466816
• Nikkaji Number: J645.557C
• Wikidata: Q82293458

Synonyms:6-Octynoic acid, 3-oxo-, methyl ester;62344-15-4;SCHEMBL11607234;DTXSID70466816;JSPULTSBGJVCAA-UHFFFAOYSA-N;3-oxo-6-octynoic acid methyl ester

Chemical Property of 6-Octynoic acid, 3-oxo-, methyl ester

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CC#CCCC(=O)CC(=O)OC

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