Isoferreirin

Base Information

• Chemical Name: Isoferreirin
• CAS No.: 76656-75-2
• Molecular Formula: C16H14O6
• Molecular Weight: 302.2788
• DSSTox Substance ID: DTXSID30997979
• Metabolomics Workbench ID: 22640
• Mol file: 76656-75-2.mol

Synonyms:Isoferreirin;76656-75-2;4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-;DTXSID30997979;CHEBI:174882;LMPK12050503;5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydrochromen-4-one;4',5,7-Trihydroxy-2'-methoxyisoflavanone;5,7-Dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one

Chemical Property of Isoferreirin

Chemical Property:

• Vapor Pressure: 7.53E-15mmHg at 25°C
• Boiling Point: 597°C at 760 mmHg
• Flash Point: 227.3°C
• Density: 1.458g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 302.07903816
• Heavy Atom Count: 22
• Complexity: 413

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)O)C2COC3=CC(=CC(=C3C2=O)O)O