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ethyl 3-(4-iodophenyl)-3-oxopropanoate

Catalog No: FT-0730811

CAS No: 63131-30-6

Chemical Name: ethyl 3-(4-iodophenyl)-3-oxopropanoate
Molecular Formula: C11H11IO3
Molecular Weight: 318.11
InChI Key: DOIUIJYPQHAHLM-UHFFFAOYSA-N
InChI: InChI=1S/C11H11IO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3

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:	349.7±22.0 °C at 760 mmHg
CAS:	63131-30-6
MF:	C11H11IO3
Density:	1.6±0.1 g/cm3
Melting_Point:	N/A
Product_Name:	Ethyl 3-(4-iodophenyl)-3-oxopropanoate
Flash_Point:	165.3±22.3 °C
FW:	318.108

MF:	C11H11IO3
Density:	1.6±0.1 g/cm3
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :3 ', '6. TPSA 434 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :232 ', '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 无可用 ', '2 . Density（g/mL,25/4℃）1609 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1607 ', '8 . Flash point（ºC）113 ', '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']
Exact_Mass:	317.975281
Vapor_Pressure:	0.0±0.8 mmHg at 25°C
Flash_Point:	165.3±22.3 °C
PSA:	43.37000
Molecular_Structure:	['1 疏水参数计算参考值（XlogP）25 ', '2 氢键供体数量0 ', '3 氢键受体数量3 ', '4 可旋转化学键数量5 ', '5 拓扑分子极性表面积（TPSA）434 ', '6 重原子数量15 ', '7 表面电荷0 ', '8 复杂度232 ', '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']
LogP:	3.07
Bolling_Point:	349.7±22.0 °C at 760 mmHg
FW:	318.108
Refractive_Index:	1.576