Orpanoxin

Base Information

• Chemical Name: Orpanoxin
• CAS No.: 60653-25-0
• Molecular Formula: C13H11 Cl O4
• Molecular Weight: 266.68
• UNII: GB7E99FI6X
• DSSTox Substance ID: DTXSID90866819
• Nikkaji Number: J18.380F
• Wikidata: Q27279012
• NCI Thesaurus Code: C170263
• ChEMBL ID: CHEMBL2107141
• Mol file: 60653-25-0.mol

Synonyms:5-(4-chlorophenyl)-beta-hydroxy-2-furanpropanoic acid;F-776;orpanoxin

Chemical Property of Orpanoxin

Chemical Property:

• Vapor Pressure: 3.96E-08mmHg at 25°C
• Boiling Point: 429.1°C at 760 mmHg
• Flash Point: 213.3°C
• PSA: 70.67000
• Density: 1.391g/cm³
• LogP: 3.10810
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 266.0345865
• Heavy Atom Count: 18
• Complexity: 289

Purity/Quality:

ORPANOXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)C(CC(=O)O)O)Cl
• Uses: Anti-inflammatory.