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The Hexanedioic acid,1,6-bis(2-oxiranylmethyl) ester, with the CAS registry number 2754-17-8, is also known as Hexanedioic acid, bis(oxiranylmethyl) ester. Its EINECS registry number is 220-403-7. This chemical's molecular formula is C12H18O6 and molecular weight is 258.2677. What's more, its systematic name is Bis(oxiran-2-ylmethyl) hexanedioate.
Physical properties about Hexanedioic acid,1,6-bis(2-oxiranylmethyl) ester are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.23; (6)ACD/BCF (pH 7.4): 4.23; (7)ACD/KOC (pH 5.5): 97.74; (8)ACD/KOC (pH 7.4): 97.74; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 77.66 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 60.34 cm3; (15)Molar Volume: 208.1 cm3; (16)Polarizability: 23.92×10-24 cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 164.3 °C; (20)Enthalpy of Vaporization: 61.82 kJ/mol; (21)Boiling Point: 371.2 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC1OC1)CCCCC(=O)OCC2OC2
(2)InChI: InChI=1/C12H18O6/c13-11(17-7-9-5-15-9)3-1-2-4-12(14)18-8-10-6-16-10/h9-10H,1-8H2
(3)InChIKey: KBWLNCUTNDKMPN-UHFFFAOYAZ