2-Nitrocyclooctanone

Base Information

• Chemical Name: 2-Nitrocyclooctanone
• CAS No.: 13154-28-4
• Molecular Formula: C₈H₁₃NO₃
• Molecular Weight: 171.196
• DSSTox Substance ID: DTXSID401315290
• Nikkaji Number: J461.096B
• Mol file: 13154-28-4.mol

Synonyms:2-Nitrocyclooctanone;2-nitrocyclooctan-1-one;13154-28-4;SCHEMBL10953888;DTXSID401315290;EN300-23909491

Chemical Property of 2-Nitrocyclooctanone

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 171.08954328
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(=O)C(CC1)[N+](=O)[O-]