Benzoicacid, 2-[2-(2-thienyl)ethyl]- (1622-54-4)

The cas register number of 2-[2-(2-Thienyl)ethyl]benzoic acid is 1622-54-4. It also can be called as Benzoicacid, 2-[2-(2-thienyl)ethyl]- and the IUPAC Name about this chemical is 2-(2-thiophen-2-ylethyl)benzoic acid.

Physical properties about 2-[2-(2-Thienyl)ethyl]benzoic acid are: (1)ACD/LogP: 4.05; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 1.13; (4)ACD/BCF (pH 5.5): 26.5; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 142.79; (7)ACD/KOC (pH 7.4): 4.53; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 54.54Ų; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 65.6 cm³; (14)Molar Volume: 184.9 cm³; (15)Polarizability: 26x10^-24cm³; (16)Surface Tension: 53.9 dyne/cm; (17)Enthalpy of Vaporization: 64.11 kJ/mol; (18)Boiling Point: 361.8 °C at 760 mmHg; (19)Vapour Pressure: 7.24E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cccc1)CCc2sccc2
(2)InChI: InChI=1/C13H12O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-6,9H,7-8H2,(H,14,15)
(3)InChIKey: BYSDXOIAAYZTBJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H12O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-6,9H,7-8H2,(H,14,15)
(5)Std. InChIKey: BYSDXOIAAYZTBJ-UHFFFAOYSA-N