3-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione

Base Information

• Chemical Name: 3-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
• CAS No.: 62391-08-6
• Molecular Formula: C16H15NO7
• Molecular Weight: 333.2928
• NSC Number: 297099
• DSSTox Substance ID: DTXSID80421895

Synonyms:NSC297099;62391-08-6;DTXSID80421895;NSC-297099

Chemical Property of 3-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione

Chemical Property:

• Vapor Pressure: 1.11E-15mmHg at 25°C
• Boiling Point: 627.9°C at 760 mmHg
• Flash Point: 333.6°C
• Density: 1.41g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 333.08485182
• Heavy Atom Count: 24
• Complexity: 576

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)OC(=O)C(=CC=CC3=CC=C(O3)[N+](=O)[O-])C(=O)O2
• Isomeric SMILES: C1CCC2(CC1)OC(=O)C(=C/C=C/C3=CC=C(O3)[N+](=O)[O-])C(=O)O2

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