Chemical Property of CID 15690459
Chemical Property:
- Boiling Point:664.0±55.0 °C(Predicted)
- PKA:4.63±0.10(Predicted)
- PSA:94.83000
- Density:1.11±0.1 g/cm3(Predicted)
- LogP:6.79660
- XLogP3:6.4
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:5
- Rotatable Bond Count:10
- Exact Mass:498.33452456
- Heavy Atom Count:36
- Complexity:1000
- Purity/Quality:
-
≥98% *data from raw suppliers
PoricoicacidA 95+% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O
- Isomeric SMILES:CC(C)C(=C)CCC([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O