Acetic acid,2-[(2,4-dimethylphenyl)sulfonyl]-, ethyl ester (1037154-23-6)

The 2-[(2,4-Dimethylphenyl)sulfonyl]acetic acid ethyl ester with the cas number 1037154-23-6 is also called Acetic acid,2-[(2,4-dimethylphenyl)sulfonyl]-, ethyl ester. The systematic name is ethyl 2-(2,4-dimethylphenyl)sulfonylacetate. Its molecular formula is C₁₂H₁₆O₄S.

The properties of the chemical are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.821; (6)ACD/BCF (pH 7.4): 60.821; (7)ACD/KOC (pH 5.5): 658.624; (8)ACD/KOC (pH 7.4): 658.624; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 68.82 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 65.194 cm³; (15)Molar Volume: 216.764 cm³; (16)Polarizability: 25.845×10^-24cm³; (17)Surface Tension: 40.14 dyne/cm; (18)Enthalpy of Vaporization: 66.057 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)CS(=O)(=O)c1ccc(cc1C)C
(2)InChI: InChI=1/C12H16O4S/c1-4-16-12(13)8-17(14,15)11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3
(3)InChIKey: PXDYINAQCQIUDH-UHFFFAOYAF