Chemical Property of CID 3086526
Chemical Property:
- Vapor Pressure:9.67E-19mmHg at 25°C
- Boiling Point:653.1°Cat760mmHg
- Flash Point:198.9°C
- PSA:100.90000
- Density:1.16g/cm3
- LogP:7.64930
- XLogP3:7.6
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:6
- Rotatable Bond Count:6
- Exact Mass:556.37638937
- Heavy Atom Count:40
- Complexity:1120
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC1(C2CCC3(C(=CCC4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C2(CCC1OC(=O)CCC(=O)O)C)C)C
- Isomeric SMILES:C[C@@]1(CCC2(CC[C@@]3(C(C2C1)CC=C4C3(CCC5[C@@]4(CCC(C5(C)C)OC(=O)CCC(=O)O)C)C)C)C)C(=O)O