Crotarin

Base Information

• Chemical Name: Crotarin
• CAS No.: 109517-69-3
• Molecular Formula: C20H16 O6
• Molecular Weight: 352.3374
• DSSTox Substance ID: DTXSID20911225
• Wikidata: Q82881316
• Metabolomics Workbench ID: 22417
• Mol file: 109517-69-3.mol

Synonyms:Crotarin;109517-69-3;DTXSID20911225;LMPK12050280;5,7-Dihydroxy-3-[4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-7-yl]-4H-1-benzopyran-4-one

Chemical Property of Crotarin

Chemical Property:

• Vapor Pressure: 1.07E-15mmHg at 25°C
• Boiling Point: 614.6°Cat760mmHg
• Flash Point: 225.2°C
• Density: 1.466g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 352.09468823
• Heavy Atom Count: 26
• Complexity: 628

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C1CC2=C(C=CC(=C2O1)C3=COC4=CC(=CC(=C4C3=O)O)O)O

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