Semilicoisoflavone B

Base Information

• Chemical Name: Semilicoisoflavone B
• CAS No.: 129280-33-7
• Molecular Formula: C20H16 O6
• Molecular Weight: 352.3374
• UNII: T9TP371NFX
• DSSTox Substance ID: DTXSID60156133
• Nikkaji Number: J885.813F
• Wikidata: Q27137434
• Metabolomics Workbench ID: 22385
• ChEMBL ID: CHEMBL1864439
• Mol file: 129280-33-7.mol

Synonyms:semilicoisoflavone B

Chemical Property of Semilicoisoflavone B

Chemical Property:

• Boiling Point: 615.5±55.0 °C(Predicted)
• PKA: 6.43±0.20(Predicted)
• Flash Point: 225.5oC
• PSA: 100.13000
• Density: 1.443±0.06 g/cm3(Predicted)
• LogP: 3.76100
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 352.09468823
• Heavy Atom Count: 26
• Complexity: 638

Purity/Quality:

≥98% ^*data from raw suppliers

SemilicoisoflavoneB 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C