Topazolin

Base Information

• Chemical Name: Topazolin
• CAS No.: 109605-79-0
• Molecular Formula: C₂₁H₂₀O₆
• Molecular Weight: 368.386
• DSSTox Substance ID: DTXSID40148990
• Nikkaji Number: J418.190E
• Wikidata: Q83014654
• Metabolomics Workbench ID: 25765
• ChEMBL ID: CHEMBL3810179
• Mol file: 109605-79-0.mol

Synonyms:Topazolin;109605-79-0;5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-(3-methylbut-2-enyl)chromen-4-one;CHEMBL3810179;5,7-Dihydroxy-2-(4-hydroxy-phenyl)-3-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one;SCHEMBL12866240;DTXSID40148990;BDBM50539740;LMPK12112682;AKOS040762434

Chemical Property of Topazolin

Chemical Property:

• Vapor Pressure: 8.16E-16mmHg at 25°C
• Boiling Point: 617°Cat760mmHg
• Flash Point: 220.4°C
• PSA: 100.13000
• Density: 1.39g/cm³
• LogP: 4.09410
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 368.12598835
• Heavy Atom Count: 27
• Complexity: 612

Purity/Quality:

99% ^*data from raw suppliers

Topazolin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)C