Chemical Property of Neocurdione
Chemical Property:
- Boiling Point:347.6±42.0 °C(Predicted)
- PSA：34.14000
- Density:0.931±0.06 g/cm3(Predicted)
- LogP:3.55320
- XLogP3:2.7
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:2
- Rotatable Bond Count:1
- Exact Mass:236.177630004
- Heavy Atom Count:17
- Complexity:326
- Purity/Quality:
-
HPLC≥98% *data from raw suppliers
Neocurdione *data from reagent suppliers
Safty Information:
- Pictogram(s):
A poison by ingestion.
- Hazard Codes:
A poison
- Safety Statements:
A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.:;
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C
- Isomeric SMILES:C[C@H]1CC/C=C(/CC(=O)[C@H](CC1=O)C(C)C)\C
