2-Acetyl-2-methyl-4-cyanobutyric acid ethyl ester

Base Information

• Chemical Name: 2-Acetyl-2-methyl-4-cyanobutyric acid ethyl ester
• CAS No.: 123187-58-6
• Molecular Formula: C₁₀H₁₅NO₃
• Molecular Weight: 197.234
• DSSTox Substance ID: DTXSID801249605
• Nikkaji Number: J1.103.509D

Synonyms:DTXSID801249605;123187-58-6;ethyl 2-(2-cyanoethyl)-2-methyl-3-oxobutanoate;2-Acetyl-2-methyl-4-cyanobutyric acid ethyl ester

Chemical Property of 2-Acetyl-2-methyl-4-cyanobutyric acid ethyl ester

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 197.10519334
• Heavy Atom Count: 14
• Complexity: 276

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(CCC#N)C(=O)C

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