4-Tert-butyl-2,6-dimethyl-4-nitrocyclohexa-2,5-dien-1-one

Base Information

• Chemical Name: 4-Tert-butyl-2,6-dimethyl-4-nitrocyclohexa-2,5-dien-1-one
• CAS No.: 91734-86-0
• Molecular Formula: C12H17NO3
• Molecular Weight: 223.272
• DSSTox Substance ID: DTXSID30535052

Synonyms:91734-86-0;4-tert-butyl-2,6-dimethyl-4-nitrocyclohexa-2,5-dien-1-one;DTXSID30535052

Chemical Property of 4-Tert-butyl-2,6-dimethyl-4-nitrocyclohexa-2,5-dien-1-one

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 383

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(C=C(C1=O)C)(C(C)(C)C)[N+](=O)[O-]

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