6-Heptynoic acid, 2-acetyl-, methyl ester

Base Information

• Chemical Name: 6-Heptynoic acid, 2-acetyl-, methyl ester
• CAS No.: 131190-10-8
• Molecular Formula: C10H14O3
• Molecular Weight: 182.219
• DSSTox Substance ID: DTXSID20455755
• Nikkaji Number: J731.268G

Synonyms:131190-10-8;6-Heptynoic acid, 2-acetyl-, methyl ester;SCHEMBL12818602;DTXSID20455755;2-Acetyl-6-heptynoic acid methyl ester

Chemical Property of 6-Heptynoic acid, 2-acetyl-, methyl ester

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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