Benzonitrile, 4-(2-hydroxy-3,4-dioxo-1-cyclobuten-1-yl)-

Base Information

• Chemical Name: Benzonitrile, 4-(2-hydroxy-3,4-dioxo-1-cyclobuten-1-yl)-
• CAS No.: 655249-78-8
• Molecular Formula: C11H5NO3
• DSSTox Substance ID: DTXSID10477885
• Nikkaji Number: J2.001.504G
• Wikidata: Q82310921

Synonyms:655249-78-8;Benzonitrile, 4-(2-hydroxy-3,4-dioxo-1-cyclobuten-1-yl)-;DTXSID10477885

Chemical Property of Benzonitrile, 4-(2-hydroxy-3,4-dioxo-1-cyclobuten-1-yl)-

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 199.026943022
• Heavy Atom Count: 15
• Complexity: 405

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)C2=C(C(=O)C2=O)O

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