17,20-Dimethylisocarbacyclin

Base Information

• Chemical Name: 17,20-Dimethylisocarbacyclin
• CAS No.: 122168-74-5
• Molecular Formula: C22H36 O4
• Molecular Weight: 364.51884
• Mol file: 122168-74-5.mol

Synonyms:17,20-dimethylisocarbacyclin;TEI 9063;TEI-9063

Chemical Property of 17,20-Dimethylisocarbacyclin

Chemical Property:

• Vapor Pressure: 5.92E-13mmHg at 25°C
• Boiling Point: 519.3°Cat760mmHg
• Flash Point: 281.9°C
• PSA: 77.76000
• Density: 1.119g/cm³
• LogP: 4.46220
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 364.26135963
• Heavy Atom Count: 26
• Complexity: 496

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C=CC1C(CC2C1CC(=C2)CCCCC(=O)O)O)O
• Isomeric SMILES: CCCCCC[C@H](/C=C/[C@@H]1[C@H](C[C@@H]2[C@H]1CC(=C2)CCCCC(=O)O)O)O