Chemical Property of CID 3083528
Chemical Property:
- Boiling Point:°Cat760mmHg
- Flash Point:°C
- Density:1.37g/cm3
- XLogP3:3.1
- Hydrogen Bond Donor Count:5
- Hydrogen Bond Acceptor Count:13
- Rotatable Bond Count:2
- Exact Mass:940.54491124
- Heavy Atom Count:68
- Complexity:2220
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC1C2CC=C3C2(COC14C(CC(O4)(C)C)O)C(=O)CC5C3CCC6C5(CC7=C(C6)N=C8C(C9(C(CCC1C9CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)CC8=N7)C)OC)C
- Isomeric SMILES:C[C@H]1[C@H]2CC=C3C2(COC14[C@@H](CC(O4)(C)C)O)C(=O)C[C@H]5[C@H]3CC[C@@H]6[C@@]5(CC7=C(C6)N=C8[C@@H]([C@]9([C@@H](CC[C@@H]1[C@@H]9C[C@H]([C@]2(C1=C[C@H]1[C@@]2([C@@H](C2(O1)[C@@H](C[C@@](O2)(C)CO)O)C)O)C)O)CC8=N7)C)OC)C
