3-Butenoic acid, 3-cyano-2-hydroxy-2-methyl-, ethyl ester

Base Information

• Chemical Name: 3-Butenoic acid, 3-cyano-2-hydroxy-2-methyl-, ethyl ester
• CAS No.: 114070-31-4
• Molecular Formula: C₈H₁₁NO₃
• Molecular Weight: 169.18
• DSSTox Substance ID: DTXSID90474014

Synonyms:114070-31-4;3-Butenoic acid, 3-cyano-2-hydroxy-2-methyl-, ethyl ester;DTXSID90474014

Chemical Property of 3-Butenoic acid, 3-cyano-2-hydroxy-2-methyl-, ethyl ester

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 250

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

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

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