9H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide

Base Information

• Chemical Name: 9H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide
• CAS No.: 51762-92-6
• Molecular Formula: C15H10O5S
• DSSTox Substance ID: DTXSID60428943

Synonyms:51762-92-6;9H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide;SCHEMBL3151374;DTXSID60428943

Chemical Property of 9H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 302.02489459
• Heavy Atom Count: 21
• Complexity: 547

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

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