2-Hexanone, 4,4-dimethyl-5-nitro-6-(1H-pyrrol-2-yl)-

Base Information

• Chemical Name: 2-Hexanone, 4,4-dimethyl-5-nitro-6-(1H-pyrrol-2-yl)-
• CAS No.: 276239-27-1
• Molecular Formula: C12H18N2O3
• Molecular Weight: 238.287
• DSSTox Substance ID: DTXSID50444415

Synonyms:276239-27-1;2-Hexanone, 4,4-dimethyl-5-nitro-6-(1H-pyrrol-2-yl)-;SCHEMBL3017748;DTXSID50444415

Chemical Property of 2-Hexanone, 4,4-dimethyl-5-nitro-6-(1H-pyrrol-2-yl)-

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 238.13174244
• Heavy Atom Count: 17
• Complexity: 297

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(C)(C)C(CC1=CC=CN1)[N+](=O)[O-]

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