1-(p-Carboxyphenyl)-5-cyano-3-oxo-1-pentene

Base Information

• Chemical Name: 1-(p-Carboxyphenyl)-5-cyano-3-oxo-1-pentene
• CAS No.: 142382-11-4
• Molecular Formula: C13H11 N O3
• Molecular Weight: 229.2313
• Nikkaji Number: J468.315C
• Mol file: 142382-11-4.mol

Synonyms:CCRIS 4071;1-(p-Carboxyphenyl)-5-cyano-3-oxo-1-pentene;142382-11-4;4-(5-Cyano-3-oxo-1-pentenyl)benzoic acid;LS-189209

Chemical Property of 1-(p-Carboxyphenyl)-5-cyano-3-oxo-1-pentene

Chemical Property:

• Vapor Pressure: 9.7E-11mmHg at 25°C
• Boiling Point: 498.1°C at 760 mmHg
• Flash Point: 255°C
• Density: 1.252g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 229.07389321
• Heavy Atom Count: 17
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)CCC#N)C(=O)O
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)CCC#N)C(=O)O