Chemical Property of Ailanthinone, dehydro-
Chemical Property:
- Vapor Pressure:1.31E-21mmHg at 25°C
- Boiling Point:683.1°C at 760 mmHg
- PKA:11.45±0.70(Predicted)
- Flash Point:231.1°C
- PSA:139.59000
- Density:1.4g/cm3
- LogP:0.65410
- XLogP3:0.3
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:9
- Rotatable Bond Count:4
- Exact Mass:476.20463259
- Heavy Atom Count:34
- Complexity:1020
- Purity/Quality:
-
90%,98% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCC(C)C(=O)OC1C2C(=C)C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O
- Isomeric SMILES:CCC(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@H]([C@@]3([C@H]4C2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O