Chemical Name: CRYSTAL PONCEAU 6R
Molecular Formula: C20H12N2Na2O7S2
Molecular Weight: 502.4
InChI Key: FUGCXLNGEHFIOA-UHFFFAOYSA-L
InChI: InChI=1S/C20H14N2O7S2.2Na/c23-17-9-8-13-10-14(30(24,25)26)11-18(31(27,28)29)19(13)20(17)22-21-16-7-3-5-12-4-1-2-6-15(12)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	acid red 44
Flash_Point:	N/A
Melting_Point:	>300ºC(lit.)
FW:	502.42800
Density:	N/A
CAS:	2766-77-0
Bolling_Point:	N/A
MF:	C20H12N2Na2O7S2

Computational_Chemistry:	['1 . XlogP ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 150 ', '7 . Heavy Atom Count 32 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 978 ', '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 1 ', '15. Covalently-Bonded Unit Count 2']
Molecular_Structure:	['. Molar refractive index 无可用 . Molar volume （ m', '3/mol ）无可用 . Parachor （ 902K ）无可用表面张力（ dyne/cm ）无可用 . Dielectric constant （ F/m ）无可用偶极距（ D ）无可用 . Polarizability （ 10 -24cm ', '3 ）无可用']
LogP:	6.08380
Melting_Point:	>300ºC(lit.)
FW:	502.42800
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）>300 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,18mmHg）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（kPa,211ºC）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 Unknow']
PSA:	176.11000
MF:	C20H12N2Na2O7S2
Exact_Mass:	501.98800