2-Cyano-3-(p-chlorobenzoyl)propionic acid

Base Information

• Chemical Name: 2-Cyano-3-(p-chlorobenzoyl)propionic acid
• CAS No.: 124500-02-3
• Molecular Formula: C11H8ClNO3
• Molecular Weight: 237.6391
• DSSTox Substance ID: DTXSID10924844

Synonyms:2-Cyano-3-(p-chlorobenzoyl)propionic acid;4-Chloro-alpha-cyano-gamma-oxobenzenebutanoic acid;Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-;124500-02-3;4-(4-chlorophenyl)-2-cyano-4-oxobutanoic acid;SCHEMBL8781599;DTXSID10924844;LS-29316

Chemical Property of 2-Cyano-3-(p-chlorobenzoyl)propionic acid

Chemical Property:

• Vapor Pressure: 2.5E-10mmHg at 25°C
• Boiling Point: 487.8°Cat760mmHg
• Flash Point: 248.8°C
• Density: 1.391g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 237.0192708
• Heavy Atom Count: 16
• Complexity: 325

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CC(C#N)C(=O)O)Cl

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