Chemical Property of Azadirone
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Chemical Property:
- Vapor Pressure:2.21E-10mmHg at 25°C
- Melting Point:123-125 °C
- Boiling Point:506.5°Cat760mmHg
- Flash Point:260.1°C
- PSA:59.04000
- Density:1.15g/cm3
- LogP:3.91198
- XLogP3:5.7
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:4
- Rotatable Bond Count:3
- Exact Mass:436.26135963
- Heavy Atom Count:32
- Complexity:899
- Purity/Quality:
-
≥98% (HPLC) *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C5=COC=C5)C)C)(C)C
- Isomeric SMILES:CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C