4,5-Dimethyl-5-nitrohexan-2-one

Base Information

• Chemical Name: 4,5-Dimethyl-5-nitrohexan-2-one
• CAS No.: 4538-82-3
• Molecular Formula: C8H15NO3
• DSSTox Substance ID: DTXSID90510481
• Nikkaji Number: J2.404.155G
• Mol file: 4538-82-3.mol

Synonyms:4,5-Dimethyl-5-nitrohexan-2-one;4538-82-3;DTXSID90510481

Chemical Property of 4,5-Dimethyl-5-nitrohexan-2-one

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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