1H-Isoindole-1,3(2H)-dione,2-(2-furanylmethoxy)- (39685-81-9)

The N-(2-Furylmethoxy)phthalimide with the CAS number 39685-81-9 is also called 1H-Isoindole-1,3(2H)-dione,2-(2-furanylmethoxy)-. The systematic name is 2-(furan-2-ylmethoxy)-1H-isoindole-1,3(2H)-dione. Its molecular formula is C₁₃H₉NO₄. The product category is Furan&Benzofuran.

The properties of the chemical are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.53; (6)ACD/BCF (pH 7.4): 17.53; (7)ACD/KOC (pH 5.5): 270.3; (8)ACD/KOC (pH 7.4): 270.3; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 59.75 Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 61.64 cm³; (15)Molar Volume: 169.5 cm³; (16)Polarizability: 24.43×10^-24cm³; (17)Surface Tension: 63.5 dyne/cm; (18)Enthalpy of Vaporization: 63.81 kJ/mol; (19)Vapour Pressure: 2.98×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(OCc1ccco1)C(=O)c3ccccc23
(2)InChI: InChI=1/C13H9NO4/c15-12-10-5-1-2-6-11(10)13(16)14(12)18-8-9-4-3-7-17-9/h1-7H,8H2
(3)InChIKey: ROUSXZGKXRFOBH-UHFFFAOYAJ