6-acetyl-4-oxo-4H-1-benzopyran-3-carbonitrile

Base Information

• Chemical Name: 6-acetyl-4-oxo-4H-1-benzopyran-3-carbonitrile
• CAS No.: 61776-44-1
• Molecular Formula: C12H7NO3
• DSSTox Substance ID: DTXSID80547786
• Wikidata: Q82426242

Synonyms:61776-44-1;6-Acetyl-4-oxo-4H-chromene-3-carbonitrile;6-acetyl-4-oxo-4H-1-benzopyran-3-carbonitrile;SCHEMBL10512915;DTXSID80547786;OJYATRCBIWZSHG-UHFFFAOYSA-N

Chemical Property of 6-acetyl-4-oxo-4H-1-benzopyran-3-carbonitrile

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 213.042593085
• Heavy Atom Count: 16
• Complexity: 415

Purity/Quality:

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MSDS Files:

Useful:

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

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