2-Butenoic acid, 2,4-dinitro-6-octylphenyl ester

Base Information

• Chemical Name: 2-Butenoic acid, 2,4-dinitro-6-octylphenyl ester
• CAS No.: 49794-90-3
• Molecular Formula: C18H24N2O6
• Molecular Weight: 364.393

Synonyms:2,4-Dinitro-6-octylphenyl crotonate;2-Butenoic acid, 2,4-dinitro-6-octylphenyl ester;SCHEMBL874774;SCHEMBL906419;LS-47135

Chemical Property of 2-Butenoic acid, 2,4-dinitro-6-octylphenyl ester

Chemical Property:

• Vapor Pressure: 1.11E-10mmHg at 25°C
• Boiling Point: 514.1°Cat760mmHg
• Flash Point: 198°C
• PSA: 117.94000
• Density: 1.178g/cm³
• LogP: 5.93390
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 364.16343649
• Heavy Atom Count: 26
• Complexity: 497

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC
• Isomeric SMILES: CCCCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)/C=C/C

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