2,6-Bis(methoxycarbonyl)benzene-1-sulfonic acid

Base Information

• Chemical Name: 2,6-Bis(methoxycarbonyl)benzene-1-sulfonic acid
• CAS No.: 50975-82-1
• Molecular Formula: C10H10O7S
• DSSTox Substance ID: DTXSID60596070
• Wikidata: Q82491206

Synonyms:50975-82-1;dimethyl sulfoisophthalate;2,6-Bis(methoxycarbonyl)benzene-1-sulfonic acid;SCHEMBL433518;DTXSID60596070;NS00128574

Chemical Property of 2,6-Bis(methoxycarbonyl)benzene-1-sulfonic acid

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 274.01472383
• Heavy Atom Count: 18
• Complexity: 398

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)C(=O)OC)S(=O)(=O)O

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