2-Methyl-3-nitroheptan-4-one

Base Information

• Chemical Name: 2-Methyl-3-nitroheptan-4-one
• CAS No.: 59906-53-5
• Molecular Formula: C8H15NO3
• DSSTox Substance ID: DTXSID70502642
• Mol file: 59906-53-5.mol

Synonyms:2-Methyl-3-nitroheptan-4-one;59906-53-5;DTXSID70502642

Chemical Property of 2-Methyl-3-nitroheptan-4-one

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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