Molecular Formula: 222.19
Formula Weight: C11H10O5
Inchl Key: HOEVRHHMDJKUMZ-UHFFFAOYSA-N
Inchl: InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

FW:	222.194
CAS:	486-21-5
Melting_Point:	>300 °C(lit.)
Bolling_Point:	452.1±45.0 °C at 760 mmHg
MF:	C11H10O5
Product_Name:	Isofraxidin
Flash_Point:	183.2±22.2 °C
Density:	1.4±0.1 g/cm3

FW:	222.194
MF:	C11H10O5
Water_Solubility:	slightly soluble
Refractive_Index:	1.588
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/ m3,25/4℃）Unknow ', '3 . Relative vapor density（g/cm3,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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,25ºC）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（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Vapor_Pressure:	0.0±1.1 mmHg at 25°C
Bolling_Point:	452.1±45.0 °C at 760 mmHg
Exact_Mass:	222.052826
PSA:	68.90000
Computational_Chemistry:	['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA 65 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :301 ', '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']
Molecular_Structure:	['1 . Molar refractive index 5540 ', '2 . Molar volume （m3/mol）1702 ', '3 . Parachor （902K）4504 ', '4 . Surface tension 490 ', '5 . Polarizability （10 -24cm 3）2196']
LogP:	1.31
Melting_Point:	>300 °C(lit.)
Flash_Point:	183.2±22.2 °C
Density:	1.4±0.1 g/cm3

RTECS:	OY2300000
Safety_Statements:	S23-S28-S28A-S25
Hazard_Codes:	Xn
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
WGK_Germany:	1