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dimethyl 2-[(4-nitrophenyl)methyl]propanedioate

Catalog No: FT-0747220

CAS No: 124090-10-4

Chemical Name: dimethyl 2-[(4-nitrophenyl)methyl]propanedioate
Molecular Formula: C12H13NO6
Molecular Weight: 267.23 g/mol
InChI Key: HCFICDDPFRMXNM-UHFFFAOYSA-N
InChI: InChI=1S/C12H13NO6/c1-18-11(14)10(12(15)19-2)7-8-3-5-9(6-4-8)13(16)17/h3-6,10H,7H2,1-2H3

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

Bolling_Point:	N/A
CAS:	124090-10-4
MF:	C12H13NO6
Density:	N/A
Melting_Point:	84-85ºC(lit.)
Product_Name:	dimethyl 2-[(4-nitrophenyl)methyl]propanedioate
Flash_Point:	N/A
FW:	267.23500

PSA:	98.42000
Molecular_Structure:	['1. Molar refractive index 6438 ', '2. Molar volume 2074 ', '3. Parachor （902K）5453 ', '4. Surface tension 477 ', '5. Dielectric constant N/A ', '6. Polarizability 2552 ', '7. Single isotope mass 267074287 Da ', '8. Nominal mass 267 Da ', '9. Average mass 2672347 Da']
MF:	C12H13NO6
LogP:	1.62270
Computational_Chemistry:	['1. XlogP :2 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 984 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :327 ', '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']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）84-85 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，50mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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']
Exact_Mass:	267.07400
FW:	267.23500
Melting_Point:	84-85ºC(lit.)