Chemical Property of Phyllactone A
Chemical Property:
- Vapor Pressure:4.48E-20mmHg at 25°C
- Boiling Point:657.4°Cat760mmHg
- Flash Point:204.7°C
- PSA:93.06000
- Density:1.16g/cm3
- LogP:5.73090
- XLogP3:6.4
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:6
- Rotatable Bond Count:6
- Exact Mass:530.36073931
- Heavy Atom Count:38
- Complexity:1020
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCC(CC(=O)OC1CC2C3(CCCC(C3CCC2(C4C1(C5=C(C(OC5=O)C)C(C4)O)C)C)(C)CC)C)O
- Isomeric SMILES:CCC(CC(=O)O[C@@H]1C[C@@H]2[C@]3(CCC[C@]([C@@H]3CC[C@]2([C@H]4[C@]1(C5=C([C@H](OC5=O)C)[C@@H](C4)O)C)C)(C)CC)C)O