Chemical Property of Bruceanol C
Chemical Property:
- Vapor Pressure:7.8E-31mmHg at 25°C
- Boiling Point:815.9°Cat760mmHg
- PKA:5.77±0.70(Predicted)
- Flash Point:261.7°C
- PSA:200.03000
- Density:1.43g/cm3
- LogP:-0.23350
- XLogP3:0
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:13
- Rotatable Bond Count:8
- Exact Mass:618.23124126
- Heavy Atom Count:44
- Complexity:1420
- Purity/Quality:
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Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)C(=O)C(=O)C=C(C)C(C)(C)OC(=O)C)(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)C(=O)C(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O