5,7,2'-Trihydroxy-6-methoxyisoflavone

Base Information

• Chemical Name: 5,7,2'-Trihydroxy-6-methoxyisoflavone
• CAS No.: 132915-50-5
• Molecular Formula: C16H12O6
• Molecular Weight: 300.2629
• DSSTox Substance ID: DTXSID90157850
• Nikkaji Number: J373.292D
• Wikidata: Q83026014
• Metabolomics Workbench ID: 143915
• Mol file: 132915-50-5.mol

Synonyms:irilin B

Chemical Property of 5,7,2'-Trihydroxy-6-methoxyisoflavone

Chemical Property:

• Vapor Pressure: 3.02E-14mmHg at 25°C
• Boiling Point: 584.2°C at 760 mmHg
• Flash Point: 223.3°C
• PSA: 100.13000
• Density: 1.512g/cm³
• LogP: 2.58540
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 300.06338810
• Heavy Atom Count: 22
• Complexity: 462

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=CC=C3O)O

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