Pentanenitrile, 4-nitro-

Base Information

• Chemical Name: Pentanenitrile, 4-nitro-
• CAS No.: 16506-99-3
• Molecular Formula: C₅H₈N₂O₂
• Molecular Weight: 128.131
• DSSTox Substance ID: DTXSID70443920
• Nikkaji Number: J2.195.725I
• ChEMBL ID: CHEMBL1882776
• Mol file: 16506-99-3.mol

Synonyms:4-nitropentanenitrile;Pentanenitrile, 4-nitro-;16506-99-3;CHEMBL1882776;DTXSID70443920;NCGC00161112-01;NCGC00161112-02

Chemical Property of Pentanenitrile, 4-nitro-

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 128.058577502
• Heavy Atom Count: 9
• Complexity: 141

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC#N)[N+](=O)[O-]

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