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The 5-Isobenzofurancarboxylicacid, 1,3-dihydro-1,3-dioxo-, 5,5'-(1,2-ethanediyl) ester with CAS registry number of 1732-96-3 is also known as Ethylene bis(1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate). The systematic name is Ethane-1,2-diyl bis(1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate). Its EINECS registry number is 217-062-1. In addition, the formula is C20H10O10 and the molecular weight is 410.29.
Physical properties about 5-Isobenzofurancarboxylicacid, 1,3-dihydro-1,3-dioxo-, 5,5'-(1,2-ethanediyl) ester are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 172.83; (6)ACD/BCF (pH 7.4): 172.83; (7)ACD/KOC (pH 5.5): 1390.88; (8)ACD/KOC (pH 7.4): 1390.88; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 139.34Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 92.86 cm3; (15)Molar Volume: 252.3 cm3; (16)Polarizability: 36.81×10-24cm3; (17)Surface Tension: 75.6 dyne/cm; (18)Density: 1.625 g/cm3; (19)Flash Point: 299.1 °C; (20)Enthalpy of Vaporization: 100.03 kJ/mol; (21)Boiling Point: 681.8 °C at 760 mmHg; (22)Vapour Pressure: 1.92E-18 mmHg at 25 °C
You can still convert the following datas into molecular structure:
1. SMILES: O=C4OC(=O)c1c4ccc(c1)C(=O)OCCOC(=O)c2ccc3C(=O)OC(=O)c3c2
2. InChI: InChI=1/C20H10O10/c21-15(9-1-3-11-13(7-9)19(25)29-17(11)23)27-5-6-28-16(22)10-2-4-12-14(8-10)20(26)30-18(12)24/h1-4,7-8H,5-6H2
3. InChIKey: XQBLBHYWXZNCJZ-UHFFFAOYAR