5-Hexynoic acid, 4-oxo-, methyl ester

Base Information

• Chemical Name: 5-Hexynoic acid, 4-oxo-, methyl ester
• CAS No.: 118622-32-5
• Molecular Formula: C7H8O3
• DSSTox Substance ID: DTXSID30441967
• Nikkaji Number: J1.436.190A
• Wikidata: Q82258990
• Mol file: 118622-32-5.mol

Synonyms:5-Hexynoic acid, 4-oxo-, methyl ester;118622-32-5;SCHEMBL9173199;DTXSID30441967;4-Oxo-5-hexynoic acid methyl ester

Chemical Property of 5-Hexynoic acid, 4-oxo-, methyl ester

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 140.047344113
• Heavy Atom Count: 10
• Complexity: 184

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC(=O)C#C