Benzoic acid, 4-(10,10-dioxido-9-oxo-9H-thioxanthen-3-yl)-

Base Information

• Chemical Name: Benzoic acid, 4-(10,10-dioxido-9-oxo-9H-thioxanthen-3-yl)-
• CAS No.: 890045-48-4
• Molecular Formula: C20H12O5S
• DSSTox Substance ID: DTXSID70468714
• Wikidata: Q82296066

Synonyms:890045-48-4;Benzoic acid, 4-(10,10-dioxido-9-oxo-9H-thioxanthen-3-yl)-;SCHEMBL5798092;DTXSID70468714

Chemical Property of Benzoic acid, 4-(10,10-dioxido-9-oxo-9H-thioxanthen-3-yl)-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 364.04054465
• Heavy Atom Count: 26
• Complexity: 671

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=CC=C(C=C4)C(=O)O

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