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6H-[1,2,5]Oxadiazolo[3,4-c]carbazole, 7,8,9,10-tetrahydro-6-hydroxy-, 3-oxide

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6H-[1,2,5]Oxadiazolo[3,4-c]carbazole, 7,8,9,10-tetrahydro-6-hydroxy-, 3-oxide Specification

This chemical is called 6H-[1,2,5]Oxadiazolo[3,4-c]carbazole, 7,8,9,10-tetrahydro-6-hydroxy-, 3-oxide, and its systematic name is 7,8,9,10-tetrahydro-6H-[1,2,5]oxadiazolo[3,4-c]carbazol-6-ol 3-oxide. With the molecular formula of C12H11N3O3, its molecular weight is 245.234. The CAS registry number of this chemical is 164356-03-0.  

Other characteristics of the 6H-[1,2,5]Oxadiazolo[3,4-c]carbazole, 7,8,9,10-tetrahydro-6-hydroxy-, 3-oxidecan be summarised as followings: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 64.3 Å2; (7)Index of Refraction: 1.841; (8)Molar Refractivity: 61.7 cm3; (9)Molar Volume: 139.1 cm3; (10)Polarizability: 24.46×10-24cm3; (11)Surface Tension: 80.7 dyne/cm; (12)Density: 1.76 g/cm3; (13)Flash Point: 279 °C; (14)Enthalpy of Vaporization: 84.54 kJ/mol; (15)Boiling Point: 537.8 °C at 760 mmHg; (16)Vapour Pressure: 3.52E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][n+]4onc2c4ccc1n(O)c3c(c12)CCCC3
2.InChI: InChI=1/C12H11N3O3/c16-14-8-4-2-1-3-7(8)11-9(14)5-6-10-12(11)13-18-15(10)17/h5-6,16H,1-4H2
3.InChIKey: IAQHHOVURYLXBB-UHFFFAOYAF

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