The Benzenepropanoic acid, b-oxo-2-(trifluoromethyl)-, ethylester, with CAS registry number 89424-17-9, belongs to the following product categories: (1)C12 to C63; (2)Carbonyl Compounds; (3)Esters. It has the systematic name of ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate. And the chemical formula of this chemical is C12H11F3O3.
Physical properties of Benzenepropanoic acid, b-oxo-2-(trifluoromethyl)-, ethylester: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 85.12; (6)ACD/BCF (pH 7.4): 84.52; (7)ACD/KOC (pH 5.5): 837.73; (8)ACD/KOC (pH 7.4): 831.9; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 56.93 cm3; (15)Molar Volume: 207.4 cm3; (16)Polarizability: 22.57×10-24cm3; (17)Surface Tension: 32 dyne/cm; (18)Enthalpy of Vaporization: 52.81 kJ/mol; (19)Vapour Pressure: 0.00228 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1C(=O)CC(=O)OCC
(2)InChI: InChI=1/C12H11F3O3/c1-2-18-11(17)7-10(16)8-5-3-4-6-9(8)12(13,14)15/h3-6H,2,7H2,1H3
(3)InChIKey: KMPAHDWULITWIH-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-5-3-4-6-9(8)12(13,14)15/h3-6H,2,7H2,1H3
(5)Std. InChIKey: KMPAHDWULITWIH-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View