Chemical Property of Bruceanol B
Chemical Property:
- Vapor Pressure:7.28E-24mmHg at 25°C
- Boiling Point:718.8°Cat760mmHg
- Flash Point:236.7°C
- PSA:165.89000
- Density:1.41g/cm3
- LogP:0.21620
- XLogP3:1
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:11
- Rotatable Bond Count:8
- Exact Mass:536.22576196
- Heavy Atom Count:38
- Complexity:1080
- Purity/Quality:
-
99% ,98% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCCCCC(=O)OC1C2C34COC2(C(C(C3C5(C(CC4OC1=O)C(=CC(=O)C5O)C)C)O)O)C(=O)OC
- Isomeric SMILES:CCCCCC(=O)O[C@@H]1[C@H]2[C@@]3([C@H]([C@@H]([C@H]4C2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C(=O)OC