Molecular Formula: 528.6
Formula Weight: C20H24CaO10S2
Inchl Key: RYAGRZNBULDMBW-UHFFFAOYSA-L
Inchl: InChI=1S/C20H26O10S2.Ca/c1-28-18-7-3-6-15(20(18)21)12-16(13-32(25,26)27)30-17-9-8-14(11-19(17)29-2)5-4-10-31(22,23)24;/h3,6-9,11,16,21H,4-5,10,12-13H2,1-2H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2

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

Melting_Point:	N/A
CAS:	8061-52-7
MF:	C20H24CaO10S2
Flash_Point:	N/A
Product_Name:	Calcium 3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfonato propyl)phenoxy]-1-propanesulfonate
Density:	N/A
FW:	528.607
Bolling_Point:	N/A

PSA:	179.08000
MF:	C20H24CaO10S2
Exact_Mass:	528.043701
LogP:	4.36490
FW:	528.607
More_Info:	['1 . Appearance 深褐色黏稠液 2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）130 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,01mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 可Soluble in Water ']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :3 ', '6. TPSA 179 ', '7. Heavy Atom Count :33 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :732 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']

RIDADR:	NONH for all modes of transport
HS_Code:	3804000090
WGK_Germany:	1
Safety_Statements:	H413
Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter