5-Methoxy-7-(methylsulfanyl)-9-oxo-9H-xanthene-2-carboxylic acid

Base Information

• Chemical Name: 5-Methoxy-7-(methylsulfanyl)-9-oxo-9H-xanthene-2-carboxylic acid
• CAS No.: 57011-76-4
• Molecular Formula: C16H12O5S
• DSSTox Substance ID: DTXSID00498327
• Wikidata: Q82348319

Synonyms:57011-76-4;SCHEMBL11767733;DTXSID00498327;5-METHOXY-7-(METHYLSULFANYL)-9-OXO-9H-XANTHENE-2-CARBOXYLIC ACID

Chemical Property of 5-Methoxy-7-(methylsulfanyl)-9-oxo-9H-xanthene-2-carboxylic acid

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 316.04054465
• Heavy Atom Count: 22
• Complexity: 454

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC2=C1OC3=C(C2=O)C=C(C=C3)C(=O)O)SC

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