5,6,7-Tri-tert-butylnaphthalene-1,4-dione

Base Information

• Chemical Name: 5,6,7-Tri-tert-butylnaphthalene-1,4-dione
• CAS No.: 118717-80-9
• Molecular Formula: C22H30O2
• DSSTox Substance ID: DTXSID50563312
• Wikidata: Q82447729

Synonyms:118717-80-9;5,6,7-Tri-tert-butylnaphthalene-1,4-dione;DTXSID50563312

Chemical Property of 5,6,7-Tri-tert-butylnaphthalene-1,4-dione

Chemical Property:

• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 326.224580195
• Heavy Atom Count: 24
• Complexity: 548

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=C(C(=C2C(=O)C=CC(=O)C2=C1)C(C)(C)C)C(C)(C)C

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