1-Octen-3-yne, 1,1-bis(phenylsulfonyl)-

Base Information

• Chemical Name: 1-Octen-3-yne, 1,1-bis(phenylsulfonyl)-
• CAS No.: 182081-91-0
• Molecular Formula: C20H20O4S2
• DSSTox Substance ID: DTXSID00447870
• Nikkaji Number: J743.082E
• Mol file: 182081-91-0.mol

Synonyms:1-Octen-3-yne, 1,1-bis(phenylsulfonyl)-;182081-91-0;DTXSID00447870;1,1-Bis(phenylsulfonyl)-1-octen-3-yne

Chemical Property of 1-Octen-3-yne, 1,1-bis(phenylsulfonyl)-

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 388.08030146
• Heavy Atom Count: 26
• Complexity: 690

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC#CC=C(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

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