Fraxin

Base Information

• Chemical Name: Fraxin
• CAS No.: 524-30-1
• Molecular Formula: C16H18O10
• Molecular Weight: 370.313
• European Community (EC) Number: 208-355-5
• UNII: V7M270Y072
• ChEMBL ID: CHEMBL293864
• DSSTox Substance ID: DTXSID30200410
• Metabolomics Workbench ID: 130062
• Nikkaji Number: J22.598C
• Pharos Ligand ID: X5WB1VVYK32U
• Wikidata: Q1452081
• Wikipedia: Fraxin
• Mol file: 524-30-1.mol

Synonyms:7,8-Dihydroxy-6-methoxycoumarin-8-beta-D-glucoside;fraxin

Chemical Property of Fraxin

Chemical Property:

• Appearance/Colour: Yellow powder
• Vapor Pressure: 6.87E-22mmHg at 25°C
• Melting Point: 205-208 °C
• Refractive Index: 1.663
• Boiling Point: 722.2 °C at 760 mmHg
• PKA: 6.99±0.20(Predicted)
• Flash Point: 267 °C
• PSA: 159.05000
• Density: 1.634 g/cm³
• LogP: -1.31410
• Storage Temp.: 2-8°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 370.08999677
• Heavy Atom Count: 26
• Complexity: 539

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Fraxin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O
• Isomeric SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O