4-Oxo-4H-1-benzopyran-3-sulfonic acid

Base Information

• Chemical Name: 4-Oxo-4H-1-benzopyran-3-sulfonic acid
• CAS No.: 84200-64-6
• Molecular Formula: C₉H₆O₅S
• Molecular Weight: 226.21
• DSSTox Substance ID: DTXSID50510083
• Wikidata: Q82368133

Synonyms:84200-64-6;4-Oxo-4H-1-benzopyran-3-sulfonic acid;DTXSID50510083

Chemical Property of 4-Oxo-4H-1-benzopyran-3-sulfonic acid

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 225.99359446
• Heavy Atom Count: 15
• Complexity: 403

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)S(=O)(=O)O

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