3-Butenoic acid, 4,4-dicyano-3-methyl-, ethyl ester

Base Information

• Chemical Name: 3-Butenoic acid, 4,4-dicyano-3-methyl-, ethyl ester
• CAS No.: 52903-67-0
• Molecular Formula: C9H10N2O2
• Molecular Weight: 178.18800
• DSSTox Substance ID: DTXSID20480688

Synonyms:52903-67-0;3-Butenoic acid, 4,4-dicyano-3-methyl-, ethyl ester;SCHEMBL25977476;DTXSID20480688

Chemical Property of 3-Butenoic acid, 4,4-dicyano-3-methyl-, ethyl ester

Chemical Property:

• Boiling Point: 88-90 °C(Press: 0.05 Torr)
• PSA: 73.88000
• Density: 1.109±0.06 g/cm3(Predicted)
• LogP: 1.30326
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 178.074227566
• Heavy Atom Count: 13
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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