Leptodactylone

Base Information

• Chemical Name: Leptodactylone
• CAS No.: 61899-44-3
• Molecular Formula: C₁₁H₁₀O₅
• Molecular Weight: 222.197
• DSSTox Substance ID: DTXSID80331748
• Nikkaji Number: J2.380.494H
• Wikidata: Q27107198
• Metabolomics Workbench ID: 69151
• ChEMBL ID: CHEMBL595334
• Mol file: 61899-44-3.mol

Synonyms:5,7-dimethoxy-8-hydroxycoumarin;8-hydroxy-5,7-dimethoxychromen-2-one;leptodactylone

Chemical Property of Leptodactylone

Chemical Property:

• Vapor Pressure: 1.03E-08mmHg at 25°C
• Boiling Point: 450°Cat760mmHg
• Flash Point: 182.2°C
• PSA: 68.90000
• Density: 1.358g/cm³
• LogP: 1.51580
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 222.05282342
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C2=C1C=CC(=O)O2)O)OC