1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid (133747-74-7)

The 1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid with the CAS number 133747-74-7 is also called 5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxylic acid. Its molecular formula is C₁₄H₁₇NO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): -0.83; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61Ų; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 66.87 cm³; (15)Molar Volume: 202 cm³; (16)Polarizability: 26.51×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Enthalpy of Vaporization: 83.23 kJ/mol; (19)Vapour Pressure: 1.46×10^-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ccc(cc1)CCC)CC(C(=O)O)C2
(2)InChI: InChI=1/C14H17NO3/c1-2-3-10-4-6-12(7-5-10)15-9-11(14(17)18)8-13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H,17,18)
(3)InChIKey: FCAJUGBVJNATGI-UHFFFAOYAS