Contortin

Base Information

• Chemical Name: Contortin
• CAS No.: 91925-83-6
• Molecular Formula: C22H26 O8
• Molecular Weight: 418.44
• DSSTox Substance ID: DTXSID70238792
• Wikidata: Q83121116
• Mol file: 91925-83-6.mol

Synonyms:contortin

Chemical Property of Contortin

Chemical Property:

• Boiling Point: 552.4°Cat760mmHg
• Flash Point: 186°C
• PSA: 111.52000
• Density: 1.219g/cm³
• LogP: 3.82120
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 418.16276778
• Heavy Atom Count: 30
• Complexity: 558

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1OC)C(=O)C)O)C2=C(C(=C(C(=C2OC)C)OC)C(=O)C)O)OC

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