[(E)-5-(4-methylphenyl)-4-nitropent-4-enyl] acetate

Base Information

• Chemical Name: [(E)-5-(4-methylphenyl)-4-nitropent-4-enyl] acetate
• CAS No.: 21461-30-3
• Molecular Formula: C14H17 N O4
• Molecular Weight: 263.2891
• NSC Number: 112389
• DSSTox Substance ID: DTXSID50419047
• Wikidata: Q82229840
• Mol file: 21461-30-3.mol

Synonyms:NSC112389;21461-30-3;DTXSID50419047;NSC-112389

Chemical Property of [(E)-5-(4-methylphenyl)-4-nitropent-4-enyl] acetate

Chemical Property:

• Vapor Pressure: 1.82E-06mmHg at 25°C
• Boiling Point: 395.6°C at 760 mmHg
• Flash Point: 162.2°C
• Density: 1.15g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 263.11575802
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C=C(CCCOC(=O)C)[N+](=O)[O-]
• Isomeric SMILES: CC1=CC=C(C=C1)/C=C(\CCCOC(=O)C)/[N+](=O)[O-]