AA-861


Catalog No:   FT-0641779

CAS No:   80809-81-0

  • Molecular Formula:  326.4
  • Formula Weight: C21H26O3
  • Inchl Key: WDEABJKSGGRCQA-UHFFFAOYSA-N
  • Inchl: InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: N/A
CAS: 80809-81-0
MF: C21H26O3
Flash_Point: N/A
Product_Name: docebenone
Density: N/A
FW: 326.42900
Bolling_Point: N/A
MF: C21H26O3
Exact_Mass: 326.18800
LogP: 3.52090
FW: 326.42900
More_Info: ['1 . Appearance Solid ', '2 . Density(g/mL25 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC1mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(正Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 爆炸下(%,V/V)Unknow ', '19 . Solubility Soluble in Ethanol ']
PSA: 54.37000
Computational_Chemistry: ['1. XlogP :39 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :127 ', '6. TPSA 544 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :692 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Safety_Statements: 26-36
Hazard_Codes: Xi
HS_Code: 2914690090
Risk_Statements(EU): 36/37/38

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