Propanedioic acid, (cyanomethylene)-, dimethyl ester

Base Information

• Chemical Name: Propanedioic acid, (cyanomethylene)-, dimethyl ester
• CAS No.: 62693-70-3
• Molecular Formula: C7H7NO4
• Molecular Weight: 169.137
• DSSTox Substance ID: DTXSID80449559
• Nikkaji Number: J511.835B

Synonyms:62693-70-3;Propanedioic acid, (cyanomethylene)-, dimethyl ester;DTXSID80449559;2-(Cyanomethylene)malonic acid dimethyl ester

Chemical Property of Propanedioic acid, (cyanomethylene)-, dimethyl ester

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 169.03750770
• Heavy Atom Count: 12
• Complexity: 252

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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