5-Heptynoic acid, 7-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

Base Information

• Chemical Name: 5-Heptynoic acid, 7-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
• CAS No.: 149862-39-5
• Molecular Formula: C9H11F3O5S
• Molecular Weight: 288.245
• DSSTox Substance ID: DTXSID00452747
• Nikkaji Number: J971.537A
• Wikidata: Q82273560
• Mol file: 149862-39-5.mol

Synonyms:149862-39-5;5-Heptynoic acid, 7-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester;DTXSID00452747

Chemical Property of 5-Heptynoic acid, 7-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 288.02792911
• Heavy Atom Count: 18
• Complexity: 434

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCC#CCOS(=O)(=O)C(F)(F)F

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