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TERT-BUTYL 4-ACETYL-3,5-DIMETHYL-2-PYRROLECARBOXYLATE

Catalog No: FT-0640863

CAS No: 63040-83-5

Chemical Name: TERT-BUTYL 4-ACETYL-3,5-DIMETHYL-2-PYRROLECARBOXYLATE
Molecular Formula: C13H19NO3
Molecular Weight: 237.29
InChI Key: ANUXYJVRWSTYSY-UHFFFAOYSA-N
InChI: InChI=1S/C13H19NO3/c1-7-10(9(3)15)8(2)14-11(7)12(16)17-13(4,5)6/h14H,1-6H3

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

Melting_Point:	151-153ºC(lit.)
CAS:	63040-83-5
MF:	C13H19NO3
Flash_Point:	178.7ºC
Product_Name:	tert-butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Density:	1.082g/cm3
FW:	237.29500
Bolling_Point:	371.8ºC at 760 mmHg

Refractive_Index:	1.513
Flash_Point:	178.7ºC
LogP:	2.78940
Bolling_Point:	371.8ºC at 760 mmHg
PSA:	59.16000
Molecular_Structure:	['1 疏水参数计算参考值（XlogP）23 ', '2 氢键供体数量1 ', '3 氢键受体数量3 ', '4 可旋转化学键数量4 ', '5 拓扑分子极性表面积（TPSA）592 ', '6 重原子数量17 ', '7 表面电荷0 ', '8 复杂度319 ', '9 同位素原子数量0 ', '10 确定原子立构中心数量0 ', '11 不确定原子立构中心数量0 ', '12 确定化学键立构中心数量0 ', '13 不确定化学键立构中心数量0 ', '14 共价键单元数量1']
Computational_Chemistry:	['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :37 ', '6. TPSA 592 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :319 ', '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']
Melting_Point:	151-153ºC(lit.)
MF:	C13H19NO3
Exact_Mass:	237.13600
FW:	237.29500
Density:	1.082g/cm3
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）151-153 ', '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']