8-Hydroxy-2-oxo-2H-1-benzopyran-3-carbonitrile

Base Information

• Chemical Name: 8-Hydroxy-2-oxo-2H-1-benzopyran-3-carbonitrile
• CAS No.: 76239-05-9
• Molecular Formula: C10H5NO3
• DSSTox Substance ID: DTXSID80512550
• Nikkaji Number: J736.551I
• Wikidata: Q82371852
• Mol file: 76239-05-9.mol

Synonyms:76239-05-9;3-cyano-8-hydroxycoumarin;8-Hydroxy-2-oxo-2H-1-benzopyran-3-carbonitrile;SCHEMBL9635553;DTXSID80512550;LVNNRUWHALAONW-UHFFFAOYSA-N

Chemical Property of 8-Hydroxy-2-oxo-2H-1-benzopyran-3-carbonitrile

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 187.026943022
• Heavy Atom Count: 14
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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