4-Oxo-2-butynoic acid methyl ester

Base Information

• Chemical Name: 4-Oxo-2-butynoic acid methyl ester
• CAS No.: 124598-37-4
• Molecular Formula: C₅H₄O₃
• Molecular Weight: 112.085
• DSSTox Substance ID: DTXSID701287062
• Nikkaji Number: J790.402I

Synonyms:124598-37-4;SCHEMBL6182211;DTXSID701287062;4-Oxo-2-butynoic acid methyl ester;2-Butynoic acid, 4-oxo-, methyl ester

Chemical Property of 4-Oxo-2-butynoic acid methyl ester

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 112.016043985
• Heavy Atom Count: 8
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

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• Canonical SMILES: COC(=O)C#CC=O

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