5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid

Base Information

• Chemical Name: 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid
• CAS No.: 91642-71-6
• Molecular Formula: C12H15 N O6 S
• Molecular Weight: 301.3156
• NSC Number: 85662
• DSSTox Substance ID: DTXSID20292809
• Wikidata: Q82031266

Synonyms:91642-71-6;5-(butylsulfamoyl)benzene-1,3-dicarboxylic acid;NSC85662;DTXSID20292809;NSC-85662

Chemical Property of 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 1.76E-13mmHg at 25°C
• Boiling Point: 562.3°Cat760mmHg
• Flash Point: 293.9°C
• Density: 1.404g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 301.06200837
• Heavy Atom Count: 20
• Complexity: 433

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNS(=O)(=O)C1=CC(=CC(=C1)C(=O)O)C(=O)O

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