3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one

Base Information

• Chemical Name: 3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one
• CAS No.: 107585-75-1
• Molecular Formula: C17H16O6
• Molecular Weight: 316.31
• NSC Number: 720872
• DSSTox Substance ID: DTXSID201127279
• Nikkaji Number: J1.160.029H
• Wikidata: Q105306125
• Metabolomics Workbench ID: 47781
• ChEMBL ID: CHEMBL1979084
• Mol file: 107585-75-1.mol

Synonyms:5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one;5,7-dihydroxy-HMBCO

Chemical Property of 3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one

Chemical Property:

• Melting Point: 140 - 142 °C
• PSA: 96.22000
• LogP: 2.24600
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 316.09468823
• Heavy Atom Count: 23
• Complexity: 427

Purity/Quality:

98%min ^*data from raw suppliers

3'-Hydroxy-3,9-dihydroeucomin ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)O)O)O