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Basic Information
CAS No.: 5407-94-3
Name: 2,8-Diazaspiro[5.5]undecane-1,3,7,9-tetrone
Article Data: 4
Molecular Structure:
Molecular Structure of 5407-94-3 (2,8-Diazaspiro[5.5]undecane-1,3,7,9-tetrone)
Formula: C9H10N2O4
Molecular Weight: 210.189
Synonyms: NSC 10739;NSC 650736;2,8-Diaza-spiro[5.5]undecane-1,3,7,9-tetraone;
Density: 1.45 g/cm3
Boiling Point: 563.9 °C at 760 mmHg
Flash Point: 263.1 °C
PSA: 92.34000
LogP: -0.49640
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Specification

 The 2,8-Diazaspiro[5.5]undecane-1,3,7,9-tetrone, with the CAS registry number 5407-94-3, is also known as 2,8-Diaza-spiro[5.5]undecane-1,3,7,9-tetraone. This chemical's molecular formula is C9H10N2O4 and molecular weight is 210.19. What's more, its systematic name is 2,8-diazaspiro[5.5]undecane-1,3,7,9-tetrone.

Physical properties of 2,8-Diazaspiro[5.5]undecane-1,3,7,9-tetrone are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 20.68; (6)ACD/KOC (pH 7.4): 20.67; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 74.76 Å2; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 47.4 cm3; (13)Molar Volume: 144.3 cm3; (14)Polarizability: 18.79×10-24cm3; (15)Surface Tension: 61.8 dyne/cm; (16)Density: 1.45 g/cm3; (17)Flash Point: 263.1 °C; (18)Enthalpy of Vaporization: 84.73 kJ/mol; (19)Boiling Point: 563.9 °C at 760 mmHg; (20)Vapour Pressure: 9.73E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC(=O)C1(C(=O)NC(=O)CC1)CC2
(2)InChI: InChI=1S/C9H10N2O4/c12-5-1-3-9(7(14)10-5)4-2-6(13)11-8(9)15/h1-4H2,(H,10,12,14)(H,11,13,15)
(3)InChIKey: VLXWUMRXYIGSMF-UHFFFAOYSA-N