2,6-Piperidinedione,3-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)- (827026-45-9)

The CAS register number of 3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione is 827026-45-9. It also can be called as 2,6-Piperidinedione,3-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)- and the systematic name about this chemical is 3-(4-nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione.

Physical properties about 3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione are: (1)ACD/LogP: 0.23; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15; (5)ACD/KOC (pH 7.4): 15; (6)#H bond acceptors: 8; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 112.3Ų; (10)Index of Refraction: 1.657; (11)Molar Refractivity: 68.769 cm³; (12)Molar Volume: 187.058 cm³; (13)Polarizability: 27.262x10^-24cm³; (14)Surface Tension: 73.899 dyne/cm; (15)Enthalpy of Vaporization: 91.447 kJ/mol; (16)Boiling Point: 616.562 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cccc1C(=O)N(Cc12)C3C(=O)NC(=O)CC3
(2)InChI: InChI=1/C13H11N3O5/c17-11-5-4-10(12(18)14-11)15-6-8-7(13(15)19)2-1-3-9(8)16(20)21/h1-3,10H,4-6H2,(H,14,17,18)
(3)InChIKey: JKPJLYIGKKDZDT-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H11N3O5/c17-11-5-4-10(12(18)14-11)15-6-8-7(13(15)19)2-1-3-9(8)16(20)21/h1-3,10H,4-6H2,(H,14,17,18)
(5)Std. InChIKey: JKPJLYIGKKDZDT-UHFFFAOYSA-N