3,4-Epoxycyclohexane carboxylic acid, methyl ester (41088-52-2)

The cas register number of 3,4-Epoxycyclohexanecarboxylic acid methyl ester is 41088-52-2. It also can be called as Methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate and the Systematic name about this chemical is 7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, methyl ester.

Physical properties about 3,4-Epoxycyclohexanecarboxylic acid methyl ester are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 70; (8)ACD/KOC (pH 7.4): 70; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.83Ų; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 38.279 cm³; (15)Molar Volume: 133.868 cm³; (16)Surface Tension: 37.412 dyne/cm; (17)Density: 1.167 g/cm³; (18)Flash Point: 79.776 °C; (19)Enthalpy of Vaporization: 44.714 kJ/mol; (20)Boiling Point: 210.856 °C at 760 mmHg; (21)Vapour Pressure: 0.188 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OC)C1CC2OC2CC1
2.InChI: InChI=1/C8H12O3/c1-10-8(9)5-2-3-6-7(4-5)11-6/h5-7H,2-4H2,1H3 
3.InChIKey: QCGKUFZYSPBMAY-UHFFFAOYAX
4.Std. InChI: InChI=1S/C8H12O3/c1-10-8(9)5-2-3-6-7(4-5)11-6/h5-7H,2-4H2,1H3