2-Nitroheptan-3-one

Base Information

• Chemical Name: 2-Nitroheptan-3-one
• CAS No.: 61097-75-4
• Molecular Formula: C7H13NO3
• Molecular Weight: 159.185
• DSSTox Substance ID: DTXSID00547203

Synonyms:2-NITROHEPTAN-3-ONE;2-nitro-3-heptanone;61097-75-4;2-nitro-heptan-3-one;DTXSID00547203

Chemical Property of 2-Nitroheptan-3-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 159.08954328
• Heavy Atom Count: 11
• Complexity: 150

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MSDS Files:

Useful:

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

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