3-(Sulfooxy)butanoic acid

Base Information

• Chemical Name: 3-(Sulfooxy)butanoic acid
• CAS No.: 82542-96-9
• Molecular Formula: C4H8O6S
• DSSTox Substance ID: DTXSID80596835

Synonyms:3-Sulfooxybutanoic acid;3-(Sulfooxy)butanoic acid;82542-96-9;3-sulooxybutanoic acid;SCHEMBL9293831;DTXSID80596835;CHEBI:176476

Chemical Property of 3-(Sulfooxy)butanoic acid

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 184.00415914
• Heavy Atom Count: 11
• Complexity: 224

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)O)OS(=O)(=O)O

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