[4-[(Z)-4-(4-methylsulfonyloxyphenyl)hex-3-en-3-yl]phenyl] methanesulfonate

Base Information

• Chemical Name: [4-[(Z)-4-(4-methylsulfonyloxyphenyl)hex-3-en-3-yl]phenyl] methanesulfonate
• CAS No.: 23067-28-9
• Molecular Formula: C20H24 O6 S2
• Molecular Weight: 424.531
• NSC Number: 526080
• DSSTox Substance ID: DTXSID30422978
• Wikidata: Q82235071
• Mol file: 23067-28-9.mol

Synonyms:NSC526080;23067-28-9;DTXSID30422978;NSC-526080

Chemical Property of [4-[(Z)-4-(4-methylsulfonyloxyphenyl)hex-3-en-3-yl]phenyl] methanesulfonate

Chemical Property:

• Vapor Pressure: 7.5E-13mmHg at 25°C
• Refractive Index: 1.563
• Boiling Point: 580.2°C at 760 mmHg
• Flash Point: 304.7°C
• Density: 1.265g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 424.10143083
• Heavy Atom Count: 28
• Complexity: 663

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(CC)C1=CC=C(C=C1)OS(=O)(=O)C)C2=CC=C(C=C2)OS(=O)(=O)C
• Isomeric SMILES: CC/C(=C(\CC)/C1=CC=C(C=C1)OS(=O)(=O)C)/C2=CC=C(C=C2)OS(=O)(=O)C

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