Chemical Property of CID 6443965
Chemical Property:
- Boiling Point:910.3oC at 760 mmHg
- Flash Point:256.4oC
- PSA:188.90000
- Density:1.21g/cm3
- LogP:6.14960
- XLogP3:5.8
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:14
- Rotatable Bond Count:13
- Exact Mass:866.53915716
- Heavy Atom Count:61
- Complexity:1570
- 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:CC1CCC(OC12C(CC(O2)C3C(C(C(C(O3)(CO)O)C)OC4CCC(C(O4)C)OC)C)C)C5(CCC6(O5)CC(C(C(O6)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)O)C)O)C
- Isomeric SMILES:CC1CCC(OC12C(CC(O2)C3C(C(C(C(O3)(CO)O)C)OC4CCC(C(O4)C)OC)C)C)C5(CCC6(O5)CC(C(C(O6)C(C)/C=C(\C)/C(=O)C(C)CC(C)C(=O)O)C)O)C