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4-Formamido Benzoic Acid

[4-[(2R)-octan-2-yl]oxycarbonylphenyl] 4-(4-octoxyphenyl)benzoate

Catalog No: FT-0772578

CAS No: 123286-51-1

Chemical Name: [4-[(2R)-octan-2-yl]oxycarbonylphenyl] 4-(4-octoxyphenyl)benzoate
Molecular Formula: C36H46O5
Molecular Weight: 558.7
InChI Key: AYYWUKWHSHVSLJ-MUUNZHRXSA-N
InChI: InChI=1S/C36H46O5/c1-4-6-8-10-11-13-27-39-33-23-19-30(20-24-33)29-15-17-31(18-16-29)36(38)41-34-25-21-32(22-26-34)35(37)40-28(3)14-12-9-7-5-2/h15-26,28H,4-14,27H2,1-3H3/t28-/m1/s1

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

Base Information
Chemical Information

Bolling_Point:	N/A
CAS:	123286-51-1
MF:	C36H46O5
Density:	N/A
Melting_Point:	N/A
Product_Name:	[4-[(2R)-octan-2-yl]oxycarbonylphenyl] 4-(4-octoxyphenyl)benzoate
Flash_Point:	N/A
FW:	558.74700

PSA:	61.83000
Molecular_Structure:	['1. Molar refractive index 16575 ', '2. Molar volume 5315 ', '3. Parachor （902K）13339 ', '4. Surface tension 396 ', '5. Dielectric constant N/A ', '6. Polarizability 6571 ', '7. Single isotope mass 558334525 Da ', '8. Nominal mass 558 Da ', '9. Average mass 5587474 Da']
MF:	C36H46O5
LogP:	9.82780
Computational_Chemistry:	['1. XlogP :115 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :20 ', '5. Isotope Atom Count :N/A ', '6. TPSA 618 ', '7. Heavy Atom Count :41 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :699 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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 Solid 。 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 760mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 20ºC）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:	558.33500
FW:	558.74700
Refractive_Index:	1.536