Persicarin

Base Information

• Chemical Name: Persicarin
• CAS No.: 549-31-5
• Molecular Formula: C16H12 O10 S
• Molecular Weight: 396.33
• UNII: HUF6GW9HDB
• DSSTox Substance ID: DTXSID40203391
• Nikkaji Number: J87.898G
• Wikipedia: Persicarin
• Wikidata: Q83076766
• Metabolomics Workbench ID: 25479
• ChEMBL ID: CHEMBL1207992
• Mol file: 549-31-5.mol

Synonyms:persicarin

Chemical Property of Persicarin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 172.11000
• Density: 1.86g/cm³
• LogP: 2.84780
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 396.01511775
• Heavy Atom Count: 27
• Complexity: 711

Purity/Quality:

99%, ^*data from raw suppliers

PERSICARIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O