Ethyl 3-cyano-3-(4-nitrophenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-cyano-3-(4-nitrophenyl)propanoate
• CAS No.: 5473-14-3
• Molecular Formula: C12H12 N2 O4
• Molecular Weight: 248.2347
• NSC Number: 29657
• DSSTox Substance ID: DTXSID00283098
• Mol file: 5473-14-3.mol

Synonyms:5473-14-3;ethyl 3-cyano-3-(4-nitrophenyl)propanoate;NSC29657;DTXSID00283098;NSC 29657;NSC-29657

Chemical Property of Ethyl 3-cyano-3-(4-nitrophenyl)propanoate

Chemical Property:

• Vapor Pressure: 4.65E-07mmHg at 25°C
• Boiling Point: 413.9°Cat760mmHg
• Flash Point: 204.1°C
• Density: 1.255g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 248.07970687
• Heavy Atom Count: 18
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C#N)C1=CC=C(C=C1)[N+](=O)[O-]