Chemical Property of Centaurin
Chemical Property:
- Vapor Pressure:4.31E-18mmHg at 25°C
- Melting Point:142-143oC
- Boiling Point:622.3°C at 760 mmHg
- PKA:12.77±0.20(Predicted)
- Flash Point:219.1°C
- PSA:113.29000
- Density:1.27±0.1 g/cm3 (20 ºC 760 Torr)
- LogP:0.95430
- XLogP3:0.2
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:7
- Rotatable Bond Count:6
- Exact Mass:378.16785316
- Heavy Atom Count:27
- Complexity:688
- Purity/Quality:
-
98% *data from raw suppliers
Cynisin *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- Safety Statements:
22-24/25
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)C(CO)O)C(=C)C(=O)O2)CO
- Isomeric SMILES:C/C/1=C\CC/C(=C/[C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)C(CO)O)C(=C)C(=O)O2)/CO