Orlandin

Base Information

• Chemical Name: Orlandin
• CAS No.: 69975-77-5
• Molecular Formula: C22H18O8
• Molecular Weight: 410.376
• UNII: 758G96EL8M
• DSSTox Substance ID: DTXSID20220243
• Nikkaji Number: J19.057H
• Wikidata: Q27133307
• Metabolomics Workbench ID: 63406
• Mol file: 69975-77-5.mol

Synonyms:bis(8,8'-(7-hydroxy-4-methoxy-5-methylcoumarin));orlandin

Chemical Property of Orlandin

Chemical Property:

• Boiling Point: 729.9oC at 760 mmHg
• Flash Point: 260.7oC
• PSA: 119.34000
• Density: 1.51g/cm3
• LogP: 3.61160
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 410.10016753
• Heavy Atom Count: 30
• Complexity: 709

Purity/Quality:

99% ^*data from raw suppliers

ORLANDIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)O)O

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