2-Cyano-5-methylhex-2-enoic acid

Base Information

• Chemical Name: 2-Cyano-5-methylhex-2-enoic acid
• CAS No.: 869-02-3
• Molecular Formula: C8H11NO2
• DSSTox Substance ID: DTXSID90708043

Synonyms:2-cyano-5-methylhex-2-enoic acid;DTXSID90708043

Chemical Property of 2-Cyano-5-methylhex-2-enoic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 153.078978594
• Heavy Atom Count: 11
• Complexity: 220

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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