3-{[(6-Methylheptyl)oxy]sulfonyl}benzene-1-sulfonic acid

Base Information

• Chemical Name: 3-{[(6-Methylheptyl)oxy]sulfonyl}benzene-1-sulfonic acid
• CAS No.: 68310-32-7
• Molecular Formula: C14H22O7S2
• Molecular Weight: 366.4503
• DSSTox Substance ID: DTXSID40987841
• Wikidata: Q82976186
• Mol file: 68310-32-7.mol

Synonyms:3-{[(6-Methylheptyl)oxy]sulfonyl}benzene-1-sulfonic acid;DTXSID40987841

Chemical Property of 3-{[(6-Methylheptyl)oxy]sulfonyl}benzene-1-sulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 145.73000
• Density: 1.379g/cm³
• LogP: 4.80610
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 350.08578076
• Heavy Atom Count: 22
• Complexity: 513

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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