Chemical Property of Bruceanol A
Chemical Property:
- Vapor Pressure:2.95E-24mmHg at 25°C
- Boiling Point:759.7°Cat760mmHg
- Flash Point:253.5°C
- Density:1.51g/cm3
- XLogP3:0.7
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:11
- Rotatable Bond Count:5
- Exact Mass:542.17881177
- Heavy Atom Count:39
- Complexity:1140
- Purity/Quality:
-
98%min *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
Useful:
- Canonical SMILES:CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C6=CC=CC=C6)(OC5)C(=O)OC)O)O)C)O
- Isomeric SMILES:CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)C6=CC=CC=C6)(OC5)C(=O)OC)O)O)C)O
