Chemical Property of CID 5491398
Chemical Property:
- Vapor Pressure:1.59E-31mmHg at 25°C
- Boiling Point:880.2°Cat760mmHg
- Flash Point:354.9°C
- Density:1.31g/cm3
- XLogP3:2.5
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:12
- Rotatable Bond Count:2
- Exact Mass:696.31457696
- Heavy Atom Count:50
- Complexity:1450
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC(=C)C1CCC23C(O2)C(CC4(CC(=O)C(O4)CC(=O)C1)C)OC(=O)C56CCC(CC(=O)CC7C(=O)CC(O7)(CC(C5O6)OC3=O)C)C(=C)C
- Isomeric SMILES:CC(=C)[C@H]1CC[C@]23[C@H](O2)[C@@H](C[C@]4(CC(=O)[C@@H](O4)CC(=O)C1)C)OC(=O)[C@@]56CC[C@@H](CC(=O)C[C@H]7C(=O)C[C@@](O7)(C[C@H]([C@@H]5O6)OC3=O)C)C(=C)C
