Chemical Property of Phocaecholic acid
Chemical Property:
- Vapor Pressure:6.95E-16mmHg at 25°C
- Melting Point:223-224 °C
- Boiling Point:580.3°Cat760mmHg
- PKA:3.83±0.21(Predicted)
- Flash Point:318.8°C
- PSA：97.99000
- Density:1.181g/cm3
- LogP:3.44870
- XLogP3:4.4
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:5
- Rotatable Bond Count:4
- Exact Mass:408.28757437
- Heavy Atom Count:29
- Complexity:637
- Purity/Quality:
-
99% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC(CC(C(=O)O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
- Isomeric SMILES:C[C@H](C[C@H](C(=O)O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
