3-Methyl-1-nitrobutan-2-one

Base Information

• Chemical Name: 3-Methyl-1-nitrobutan-2-one
• CAS No.: 62087-36-9
• Molecular Formula: C5H9NO3
• Molecular Weight: 131.131
• DSSTox Substance ID: DTXSID60520673

Synonyms:3-methyl-1-nitrobutan-2-one;62087-36-9;2-Butanone, 3-methyl-1-nitro-;SCHEMBL11374957;DTXSID60520673

Chemical Property of 3-Methyl-1-nitrobutan-2-one

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.058243149
• Heavy Atom Count: 9
• Complexity: 125

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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