Isocajucarinolide

Base Information

• Chemical Name: Isocajucarinolide
• CAS No.: 147741-98-8
• Molecular Formula: C19H22 O6
• Molecular Weight: 346.37
• DSSTox Substance ID: DTXSID60933204
• Mol file: 147741-98-8.mol

Synonyms:isocajucarinolide

Chemical Property of Isocajucarinolide

Chemical Property:

• Vapor Pressure: 2.79E-19mmHg at 25°C
• Boiling Point: 643.6°Cat760mmHg
• PKA: 9.60±0.40(Predicted)
• Flash Point: 235.7°C
• PSA: 89.90000
• Density: 1.35g/cm³
• LogP: 1.67130
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 346.14163842
• Heavy Atom Count: 25
• Complexity: 719

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C(C13CC(OC3=O)C4=CC(=O)OC4O)CC(=O)C=C2C