6-tert-Butyl-4-oxo-4H-chromene-3-carbonitrile

Base Information

• Chemical Name: 6-tert-Butyl-4-oxo-4H-chromene-3-carbonitrile
• CAS No.: 68301-74-6
• Molecular Formula: C₁₄H₁₃NO₂
• Molecular Weight: 227.263
• DSSTox Substance ID: DTXSID20540519
• Wikidata: Q82416555
• Mol file: 68301-74-6.mol

Synonyms:68301-74-6;6-tert-Butyl-4-oxo-4H-chromene-3-carbonitrile;6-(tert-butyl)-4-oxo-4H-chromene-3-carbonitrile;DTXSID20540519;6-TERT-BUTYL-4-OXOCHROMENE-3-CARBONITRILE;6-tert-Butyl-4-oxo-4H-1-benzopyran-3-carbonitrile

Chemical Property of 6-tert-Butyl-4-oxo-4H-chromene-3-carbonitrile

Chemical Property:

• PSA: 54.00000
• LogP: 2.96218
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 408

Purity/Quality:

99% ^*data from raw suppliers

6-Tert-butyl-4-oxo-4H-chromene-3-carbonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)OC=C(C2=O)C#N