3-CYANOCOUMARIN

Catalog No: FT-0637185

CAS No: 15119-34-3

Chemical Name: 3-CYANOCOUMARIN
Molecular Formula: C10H5NO2
Molecular Weight: 171.15
InChI Key: QKJALQPLNMEDAV-UHFFFAOYSA-N
InChI: InChI=1S/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H

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:	184-188 °C(lit.)
CAS:	15119-34-3
MF:	C10H5NO2
Flash_Point:	167.2ºC
Product_Name:	3-Cyanocoumarin
Density:	1.34 g/cm3
FW:	171.15200
Bolling_Point:	350.7ºC at 760 mmHg

Refractive_Index:	1.621
Vapor_Pressure:	4.32E-05mmHg at 25°C
Flash_Point:	167.2ºC
LogP:	1.66468
Bolling_Point:	350.7ºC at 760 mmHg
FW:	171.15200
PSA:	54.00000
Computational_Chemistry:	['1. XlogP :18 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 501 ', '7. Heavy Atom Count :13 ', '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']
Melting_Point:	184-188 °C(lit.)
MF:	C10H5NO2
Exact_Mass:	171.03200
Density:	1.34 g/cm3
More_Info:	['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）184-188 ', '5. Boiling point（ºC,Atmospheric pressure）Unknow ', '6. Boiling point（ºC,52kPa）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（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）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']