Kolaflavanone

Base Information

• Chemical Name: Kolaflavanone
• CAS No.: 68705-66-8
• Deprecated CAS: 943600-44-0
• Molecular Formula: C31H24O12
• Molecular Weight: 588.5151
• UNII: VY4E467596
• DSSTox Substance ID: DTXSID80243039
• Wikidata: Q27103752
• Metabolomics Workbench ID: 22130
• ChEMBL ID: CHEMBL4794351
• Mol file: 68705-66-8.mol

Synonyms:kolaflavanone

Chemical Property of Kolaflavanone

Chemical Property:

• Boiling Point: 942.8°Cat760mmHg
• Flash Point: 312.8°C
• PSA: 203.44000
• Density: 1.624g/cm³
• LogP: 3.70630
• XLogP3: 4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 588.12677620
• Heavy Atom Count: 43
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2C(C(=O)C3=C(C=C(C(=C3O2)C4C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)O
• Isomeric SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C(=C3O2)[C@@H]4[C@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)O