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3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid

Catalog No: FT-0709489

CAS No: 2904-41-8

Chemical Name: 3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
Molecular Formula: C12H15N3O9
Molecular Weight: 345.26
InChI Key: HENCHDCLZDQGIQ-UHFFFAOYSA-N
InChI: InChI=1S/C12H15N3O9/c16-7(17)1-4-13-10(22)14(5-2-8(18)19)12(24)15(11(13)23)6-3-9(20)21/h1-6H2,(H,16,17)(H,18,19)(H,20,21)

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

FW:	345.26200
CAS:	2904-41-8
Bolling_Point:	694.1ºC at 760mmHg
Product_Name:	3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
Melting_Point:	222ºC
MF:	C12H15N3O9
Density:	1.604g/cm3
Flash_Point:	373.6ºC

More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）222 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Melting_Point:	222ºC
PSA:	177.90000
Flash_Point:	373.6ºC
Refractive_Index:	1.578
Bolling_Point:	694.1ºC at 760mmHg
FW:	345.26200
Exact_Mass:	345.08100
Computational_Chemistry:	['1. XlogP :-21 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :9 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 173 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :484 ', '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']
Vapor_Pressure:	4.27E-21mmHg at 25°C
MF:	C12H15N3O9
Density:	1.604g/cm3
Molecular_Structure:	['1 . Molar refractive index 7149 ', '2 . Molar volume （m3/mol）2152 ', '3 . Parachor （902K）6421 ', '4 . Surface tension 792 ', '5 . Polarizability 2834']