3,3'-di-O-methylellagic acid

Base Information

• Chemical Name: 3,3'-di-O-methylellagic acid
• CAS No.: 2239-88-5
• Molecular Formula: C₁₆H₁₀O₈
• Molecular Weight: 330.251
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID20176918
• Nikkaji Number: J264.668D
• Wikidata: Q72469953
• Metabolomics Workbench ID: 138590
• ChEMBL ID: CHEMBL487203
• Mol file: 2239-88-5.mol

Synonyms:Diphenicacid, 4,4',6,6'-tetrahydroxy-5,5'-dimethoxy-, di-d-lactone (7CI); 3,3'-Di-O-methylellagic acid;3,3'-Dimethoxyellagic acid; Ellagic acid 3,3'-dimethyl ether; Ellagic acid,3,3'-di-O-methyl-

Chemical Property of 3,3'-di-O-methylellagic acid

Chemical Property:

• Vapor Pressure: 7.54E-19mmHg at 25°C
• Melting Point: 330-331 °C
• Boiling Point: 675.2°Cat760mmHg
• PKA: 7.37±0.20(Predicted)
• Flash Point: 258.2°C
• PSA: 119.34000
• Density: 1.673g/cm³
• LogP: 1.91880
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 330.03756727
• Heavy Atom Count: 24
• Complexity: 502

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,3’-Di-O-methylellagicacid >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O