Chemical Property of CID 6444003
Chemical Property:
- Boiling Point:1043.1°Cat760mmHg
- Flash Point:584.7°C
- Density:1.34g/cm3
- XLogP3:-0.9
- Hydrogen Bond Donor Count:9
- Hydrogen Bond Acceptor Count:16
- Rotatable Bond Count:5
- Exact Mass:795.40412024
- Heavy Atom Count:56
- Complexity:1420
- Purity/Quality:
-
95% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
Useful:
- Canonical SMILES:CCC(C)C1CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(=O)CC(CC(=O)O1)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
- Isomeric SMILES:CCC(C)C1CC=C/C=C\C=C/C=C\C=CC(CC2C(C(CC(O2)(CC(C(CCC(=O)CC(CC(=O)O1)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O