Isodiospyrin

Base Information

• Chemical Name: Isodiospyrin
• CAS No.: 20175-84-2
• Molecular Formula: C22H14 O6
• Molecular Weight: 374.34
• NSC Number: 208731
• DSSTox Substance ID: DTXSID90174007
• Nikkaji Number: J819.967A,J11.012D
• Wikidata: Q27106975
• Metabolomics Workbench ID: 68047
• ChEMBL ID: CHEMBL1992900
• Mol file: 20175-84-2.mol

Synonyms:1',4-dihydroxy-2,3'-dimethyl-(1,2'-binaphthalene)-5,5',8,8'-tetrone;isodiospyrin;isoldiospyrin

Chemical Property of Isodiospyrin

Chemical Property:

• Melting Point: 233 °C
• Boiling Point: 712°Cat760mmHg
• PKA: 5.66±0.20(Predicted)
• Flash Point: 398.3°C
• PSA: 108.74000
• Density: 1.495g/cm³
• LogP: 3.25200
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 374.07903816
• Heavy Atom Count: 28
• Complexity: 795

Purity/Quality:

98%min ^*data from raw suppliers

Isodiospyrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=O)C=CC2=O)C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O