1-Dodecanesulfonic acid, 1-hydroxy-3-oxo-

Base Information

• Chemical Name: 1-Dodecanesulfonic acid, 1-hydroxy-3-oxo-
• CAS No.: 783258-71-9
• Molecular Formula: C12H24O5S
• Molecular Weight: 280.38100
• UNII: X2I030F8RY
• DSSTox Substance ID: DTXSID00432948
• ChEMBL ID: CHEMBL1208053

Synonyms:Houttuyfonate;Houttuyfonic acid;1-Dodecanesulfonic acid, 1-hydroxy-3-oxo-;783258-71-9;Houttuyfonate [WHO-DD];X2I030F8RY;UNII-X2I030F8RY;1-Hydroxy-3-oxo-1-dodecanesulfonic acid;1-hydroxy-3-oxo-dodecane-1-sulfonic Acid;CHEMBL1208053;DTXSID00432948

Chemical Property of 1-Dodecanesulfonic acid, 1-hydroxy-3-oxo-

Chemical Property:

• PSA: 100.05000
• Density: 1.167±0.06 g/cm3(Predicted)
• LogP: 3.37330
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 280.13444504
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)CC(O)S(=O)(=O)O

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