Clausenacoumarine

Base Information

• Chemical Name: Clausenacoumarine
• CAS No.: 87838-97-9
• Molecular Formula: C21H18 O6
• Molecular Weight: 366.36
• Nikkaji Number: J156.764K,J3.297.436H
• Mol file: 87838-97-9.mol

Synonyms:clausenacoumarine;dehydroindicolactone

Chemical Property of Clausenacoumarine

Chemical Property:

• Vapor Pressure: 6.07E-15mmHg at 25°C
• Boiling Point: 612.6°C at 760 mmHg
• Flash Point: 324.3°C
• PSA: 78.88000
• Density: 1.303g/cm³
• LogP: 4.12610
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 366.11033829
• Heavy Atom Count: 27
• Complexity: 706

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(OC1=O)CC(=CCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
• Isomeric SMILES: CC1=CC(OC1=O)C/C(=C/COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)/C