1-Methyl-6,6-dioxo-1,6-dihydro-6lambda~6~-thiepino[4,5-b]pyrrole-5,7-dicarboxylic acid

Base Information

• Chemical Name: 1-Methyl-6,6-dioxo-1,6-dihydro-6lambda~6~-thiepino[4,5-b]pyrrole-5,7-dicarboxylic acid
• CAS No.: 88330-39-6
• Molecular Formula: C11H9NO6S
• DSSTox Substance ID: DTXSID70528185

Synonyms:88330-39-6;DTXSID70528185;1-Methyl-6,6-dioxo-1,6-dihydro-6lambda~6~-thiepino[4,5-b]pyrrole-5,7-dicarboxylic acid

Chemical Property of 1-Methyl-6,6-dioxo-1,6-dihydro-6lambda~6~-thiepino[4,5-b]pyrrole-5,7-dicarboxylic acid

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 283.01505818
• Heavy Atom Count: 19
• Complexity: 597

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC2=C1C=C(S(=O)(=O)C(=C2)C(=O)O)C(=O)O

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