Chemical Property of CID 11972494
Chemical Property:
- PSA:225.32000
- Density:1.422g/cm3
- LogP:3.34460
- XLogP3:2.5
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:17
- Rotatable Bond Count:14
- Exact Mass:844.35175031
- Heavy Atom Count:60
- Complexity:1940
- Purity/Quality:
-
98%,99%, *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCC(C)C(=O)OC1CC2(C(OC(=O)CC23C45C1(C6(C(C7(CC6(C(C7OC(=O)C8(C(O8)C)C)(C4OC(=O)C(C)C)O)O)C)CC(=O)OC)C)OC(O3)(O5)C)C9=COC=C9)C
- Isomeric SMILES:CC[C@H](C)C(=O)O[C@@H]1C[C@]2([C@@H](OC(=O)C[C@@]23[C@]45[C@]1([C@]6([C@H](C7(C[C@]6(C([C@H]4OC(=O)C(C)C)([C@H]7OC(=O)[C@@]8([C@H](O8)C)C)O)O)C)CC(=O)OC)C)OC(O3)(O5)C)C9=COC=C9)C