Ethylphenylcyano-acetic acid ethyl ester

Catalog No: FT-0656881

CAS No: 718-71-8

Chemical Name: Ethylphenylcyano-acetic acid ethyl ester
Molecular Formula: C13H15NO2
Molecular Weight: 217.26
InChI Key: VCJAUIYSQAXNGB-UHFFFAOYSA-N
InChI: InChI=1S/C13H15NO2/c1-3-13(10-14,12(15)16-4-2)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3

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:	N/A
CAS:	718-71-8
MF:	C13H15NO2
Flash_Point:	153.6±9.1 °C
Product_Name:	Ethyl 2-cyano-2-phenylbutanoate
Density:	1.1±0.1 g/cm3
FW:	217.264
Bolling_Point:	326.6±22.0 °C at 760 mmHg

Refractive_Index:	1.507
Vapor_Pressure:	0.0±0.7 mmHg at 25°C
Flash_Point:	153.6±9.1 °C
LogP:	3.05
Bolling_Point:	326.6±22.0 °C at 760 mmHg
FW:	217.264
PSA:	50.09000
Computational_Chemistry:	['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA :501 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :286 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF:	C13H15NO2
Exact_Mass:	217.110275
Density:	1.1±0.1 g/cm3