Chemical Property of Simarolide
Chemical Property:
- Vapor Pressure:2.09E-22mmHg at 25°C
- Boiling Point:696°C at 760 mmHg
- Flash Point:230.5°C
- PSA:133.27000
- Density:1.31g/cm3
- LogP:2.01050
- XLogP3:1.6
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:9
- Rotatable Bond Count:4
- Exact Mass:504.23593272
- Heavy Atom Count:36
- Complexity:1040
- Purity/Quality:
-
98%min *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1CC(C(=O)C2(C1CC3C4(C2C(CC(C4CC(=O)O3)(C)C(=O)C5CC(=O)OC5)OC(=O)C)C)C)O
- Isomeric SMILES:C[C@@H]1C[C@@H](C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H](C[C@@]([C@@H]4CC(=O)O3)(C)C(=O)[C@@H]5CC(=O)OC5)OC(=O)C)C)C)O