4-(2-Ethylhexyl) 2-sulfobutanedioate

Base Information

• Chemical Name: 4-(2-Ethylhexyl) 2-sulfobutanedioate
• CAS No.: 63294-52-0
• Molecular Formula: C12H22O7S
• DSSTox Substance ID: DTXSID001343245

Synonyms:DTXSID001343245;4-(2-Ethylhexyl) 2-sulfobutanedioate;63294-52-0

Chemical Property of 4-(2-Ethylhexyl) 2-sulfobutanedioate

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 310.10862421
• Heavy Atom Count: 20
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

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

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