5,4'-Dihydroxy-7,3'-dimethoxyisoflavone

Base Information

• Chemical Name: 5,4'-Dihydroxy-7,3'-dimethoxyisoflavone
• CAS No.: 104668-88-4
• Molecular Formula: C17H14O6
• Molecular Weight: 314.28900
• ChEMBL ID: CHEMBL4173249
• DSSTox Substance ID: DTXSID401314292
• Metabolomics Workbench ID: 22493
• Nikkaji Number: J410.372F
• Wikidata: Q105181929
• Mol file: 104668-88-4.mol

Synonyms:7,3'-Di-O-methylorobol;104668-88-4;7,3'-Dimethylorobol;5,4'-Dihydroxy-7,3'-dimethoxyisoflavone;4',5-dihydroxy-3',7-dimethoxyisoflavone;5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one;3',7-Di-O-methylorobol;CHEMBL4173249;CHEBI:175017;DTXSID401314292;HY-N7806;LMPK12050356;AKOS040761232;CS-0137955;F92956

Chemical Property of 5,4'-Dihydroxy-7,3'-dimethoxyisoflavone

Chemical Property:

• Melting Point: 179-180℃
• PSA: 89.13000
• LogP: 2.88840
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 314.07903816
• Heavy Atom Count: 23
• Complexity: 476

Purity/Quality:

98%Min ^*data from raw suppliers

7,3'-Di-O-methylorobol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC(=C(C=C3)O)OC)O