6,7-Dimethyl-4-oxo-4H-chromene-3-carbonitrile

Catalog No: FT-0692840

CAS No: 94978-86-6

Chemical Name: 6,7-Dimethyl-4-oxo-4H-chromene-3-carbonitrile
Molecular Formula: C12H9NO2
Molecular Weight: 199.2
InChI Key: YBBAUISOAUXLKI-UHFFFAOYSA-N
InChI: InChI=1S/C12H9NO2/c1-7-3-10-11(4-8(7)2)15-6-9(5-13)12(10)14/h3-4,6H,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

Melting_Point:	206-209ºC(lit.)
CAS:	94978-86-6
MF:	C12H9NO2
Flash_Point:	151.8ºC
Product_Name:	6,7-dimethyl-4-oxochromene-3-carbonitrile
Density:	1.25g/cm3
FW:	199.20500
Bolling_Point:	347.8ºC at 760mmHg

Refractive_Index:	1.594
Flash_Point:	151.8ºC
LogP:	2.28148
Bolling_Point:	347.8ºC at 760mmHg
PSA:	54.00000
Molecular_Structure:	['1 . Molar refractive index 5395 ', '2 . Molar volume （m3/mol）1589 ', '3 . Parachor （902K）4278 ', '4 . Surface tension 525 ', '5 . Polarizability （10 -24cm 3）2138']
Computational_Chemistry:	['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :5 ', '6. TPSA 501 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :363 ', '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:	206-209ºC(lit.)
MF:	C12H9NO2
Exact_Mass:	199.06300
FW:	199.20500
Density:	1.25g/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）206-209 ', '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']