Licopyranocoumarin

Base Information

• Chemical Name: Licopyranocoumarin
• CAS No.: 117038-80-9
• Molecular Formula: C21H20 O7
• Molecular Weight: 384.38
• UNII: 4X8VZO798F
• DSSTox Substance ID: DTXSID20922255
• Nikkaji Number: J462.796B,J257.660K
• Wikidata: Q27260633
• Metabolomics Workbench ID: 27874
• ChEMBL ID: CHEMBL597425
• Mol file: 117038-80-9.mol

Synonyms:licopyranocoumarin

Chemical Property of Licopyranocoumarin

Chemical Property:

• Vapor Pressure: 3.68E-19mmHg at 25°C
• Boiling Point: 675.3°Cat760mmHg
• PKA: 8.89±0.40(Predicted)
• Flash Point: 242.9°C
• PSA: 109.36000
• Density: 1.397g/cm³
• LogP: 2.95580
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 384.12090297
• Heavy Atom Count: 28
• Complexity: 634

Purity/Quality:

99%+, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)CO

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