2H-1-Benzopyran-2-one, 7-hydroxy-3-nitro-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 7-hydroxy-3-nitro-
• CAS No.: 112212-21-2
• Molecular Formula: C9H5NO5
• DSSTox Substance ID: DTXSID80439975
• Nikkaji Number: J601.994C
• ChEMBL ID: CHEMBL303886

Synonyms:112212-21-2;2H-1-Benzopyran-2-one, 7-hydroxy-3-nitro-;3-Nitro-7-hydroxycoumarin;CHEMBL303886;SCHEMBL1048213;DTXSID80439975

Chemical Property of 2H-1-Benzopyran-2-one, 7-hydroxy-3-nitro-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 207.01677226
• Heavy Atom Count: 15
• Complexity: 332

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1O)OC(=O)C(=C2)[N+](=O)[O-]

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