2-Hydroxy-3-nitrothiochromen-4-one

Base Information

• Chemical Name: 2-Hydroxy-3-nitrothiochromen-4-one
• CAS No.: 52140-90-6
• Molecular Formula: C9H5NO4S
• DSSTox Substance ID: DTXSID90354307
• Wikidata: Q82132367

Synonyms:2-hydroxy-3-nitrothiochromen-4-one;52140-90-6;Oprea1_532371;Oprea1_625036;DTXSID90354307;4-hydroxy-3-nitro-1-thiocoumarin;AKOS000639557

Chemical Property of 2-Hydroxy-3-nitrothiochromen-4-one

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 222.99392881
• Heavy Atom Count: 15
• Complexity: 347

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=C(S2)O)[N+](=O)[O-]

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