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5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione

Catalog No: FT-0679274

CAS No: 190064-28-9

Chemical Name: 5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione
Molecular Formula: C14H16O4
Molecular Weight: 248.27
InChI Key: IRKIDJHFWYGNFG-UHFFFAOYSA-N
InChI: InChI=1S/C14H16O4/c1-17-13-4-3-9(7-14(13)18-2)10-5-11(15)8-12(16)6-10/h3-4,7,10H,5-6,8H2,1-2H3

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

Product_Name:	5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione
Flash_Point:	184.1ºC
Melting_Point:	166-170ºC(lit.)
FW:	248.27400
Density:	1.173g/cm3
CAS:	190064-28-9
Bolling_Point:	411.6ºC at 760 mmHg
MF:	C14H16O4

Molecular_Structure:	['1 疏水参数计算参考值（XlogP）13 ', '2 氢键供体数量0 ', '3 氢键受体数量4 ', '4 可旋转化学键数量3 ', '5 互变异构体数量5 ', '6 拓扑分子极性表面积（TPSA）526 ', '7 重原子数量18 ', '8 表面电荷0 ', '9 复杂度310 ', '10同位素原子数量0 ', '11确定原子立构中心数量0 ', '12不确定原子立构中心数量0 ', '13确定化学键立构中心数量0 ', '14不确定化学键立构中心数量0 ', '15共价键单元数量1']
Flash_Point:	184.1ºC
Refractive_Index:	1.533
FW:	248.27400
Density:	1.173g/cm3
Bolling_Point:	411.6ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :5 ', '6. TPSA 526 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :310 ', '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']
LogP:	2.10950
Melting_Point:	166-170ºC(lit.)
PSA:	52.60000
MF:	C14H16O4
More_Info:	['1 . Appearance White Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）166-170 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，02mmHg）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（mmHg,217ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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']
Vapor_Pressure:	5.52E-07mmHg at 25°C
Exact_Mass:	248.10500