Benzoicacid, 3-(2-oxoethyl)-, methyl ester (124038-37-5)

The Methyl 3-(2-oxoethyl)benzoate, with the cas registry number of 124038-37-5, is also known as Benzoic acid, 3-(2-oxoethyl)-, methyl ester. Its molecular formula is C₁₀H₁₀O₃ and formula weight is 178.186. What's more, its systematic name is called Methyl 3-(2-oxoethyl)benzoate.

Physical properties about this chemical are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.74; (6)ACD/BCF (pH 7.4): 12.74; (7)ACD/KOC (pH 5.5): 215.1; (8)ACD/KOC (pH 7.4): 215.1; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 47.76 cm³; (15)Molar Volume: 157.4 cm³; (16)Surface Tension: 40.6 dyne/cm; (17)Density: 1.131 g/cm³; (18)Flash Point: 130.1 °C; (19)Enthalpy of Vaporization: 53.69 kJ/mol; (20)Boiling Point: 297.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00138 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCc1cc(ccc1)C(=O)OC;
(2)InChI: InChI=1/C10H10O3/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,6-7H,5H2,1H3;
(3)InChIKey: ZECXBDQLXINILP-UHFFFAOYAG.