Benzeneacetic acid,4-(cyclopropylcarbonyl)-a,a-dimethyl- (162096-54-0)

The 4-(Cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetic acid with its cas register number is 162096-54-0. It also can be called as Benzeneacetic acid,4-(cyclopropylcarbonyl)-a,a-dimethyl- and the Systematic name about this chemical is 2-[4-(cyclopropylcarbonyl)phenyl]-2-methylpropanoic acid.

Physical properties about 4-(Cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetic acid are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 54.37Ų; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 63.432 cm³; (14)Molar Volume: 191.567 cm³; (15)Polarizability: 25.147x10^-24cm³; (16)Surface Tension: 50.086 dyne/cm; (17)Enthalpy of Vaporization: 68.542 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C(C(=O)O)(C)C)C2CC2
(2)InChI: InChI=1/C14H16O3/c1-14(2,13(16)17)11-7-5-10(6-8-11)12(15)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,17)
(3)InChIKey: LOWWEULESZKQRF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H16O3/c1-14(2,13(16)17)11-7-5-10(6-8-11)12(15)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,17)
(5)Std. InChIKey: LOWWEULESZKQRF-UHFFFAOYSA-N