6-(Benzenesulfonyl)-2,5-dihydroxycyclohepta-2,4,6-trien-1-one

Base Information

• Chemical Name: 6-(Benzenesulfonyl)-2,5-dihydroxycyclohepta-2,4,6-trien-1-one
• CAS No.: 61171-69-5
• Molecular Formula: C13H10O5S
• DSSTox Substance ID: DTXSID20515080

Synonyms:61171-69-5;6-(benzenesulfonyl)-2,5-dihydroxycyclohepta-2,4,6-trien-1-one;DTXSID20515080

Chemical Property of 6-(Benzenesulfonyl)-2,5-dihydroxycyclohepta-2,4,6-trien-1-one

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 278.02489459
• Heavy Atom Count: 19
• Complexity: 569

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC(=O)C(=CC=C2O)O

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