Specification: |
The 1-Ethylimidazolidine-2,4,5-trione 5-(O-methyloxime), with the cas registry number 71342-67-1, has the systematic name of (5Z)-1-ethyl-5-methoxyimino-imidazolidine-2,4-dione. And the molecular formula of the chemical is C6H9N3O3.
The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 6; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 71 Å2; (6)Index of Refraction: 1.588; (7)Molar Refractivity: 40.43 cm3; (8)Molar Volume: 120.1 cm3; (9)Polarizability: 16.02×10-24cm3; (10)Surface Tension: 50.5 dyne/cm; (11)Density: 1.42 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCN1C(=NOC)C(=O)NC1=O
(2)InChI: InChI=1/C6H9N3O3/c1-3-9-4(8-12-2)5(10)7-6(9)11/h3H2,1-2H3,(H,7,10,11)/b8-4-
(3)InChIKey: IWOKFBNWXNLMMA-YWEYNIOJBA
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