3-Acetamido-8-nitrocoumarin

Base Information

• Chemical Name: 3-Acetamido-8-nitrocoumarin
• CAS No.: 840-05-1
• Molecular Formula: C11H8N2O5
• DSSTox Substance ID: DTXSID50354101
• Wikidata: Q82132056

Synonyms:840-05-1;N-(8-Nitro-2-oxo-2H-chromen-3-yl)acetamide;3-acetamido-8-nitrocoumarin;Oprea1_274488;Oprea1_871531;acetamide,n-(8-nitro-2-oxo-2h-1-benzopyran-3-yl)-;DTXSID50354101;AKOS000668954;N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide

Chemical Property of 3-Acetamido-8-nitrocoumarin

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 248.04332136
• Heavy Atom Count: 18
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC2=C(C(=CC=C2)[N+](=O)[O-])OC1=O

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