4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile

Base Information

• Chemical Name: 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile
• CAS No.: 5457-22-7
• Molecular Formula: C11H13 N3 O4
• Molecular Weight: 0
• NSC Number: 23806
• DSSTox Substance ID: DTXSID60282007
• Wikidata: Q82016161
• Mol file: 5457-22-7.mol

Synonyms:5457-22-7;NSC23806;4-(methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile;DTXSID60282007;NSC 23806;NSC-23806

Chemical Property of 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 1.64E-05mmHg at 25°C
• Boiling Point: 364.8°Cat760mmHg
• Flash Point: 174.4°C
• PSA: 111.70000
• Density: 1.29g/cm³
• LogP: 1.77688
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 251.09060590
• Heavy Atom Count: 18
• Complexity: 490

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C(=C(C(=O)N1)C#N)COC)[N+](=O)[O-]

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