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CAS No.: | 164329-73-1 |
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Name: | 2-(2-Hydroxyacetyl)-1,8-dimethylimidazo[1,2-a]quinoxalin-4(5H)-one |
Molecular Structure: | |
Formula: | C13H11N3O3 |
Molecular Weight: | 257.249 |
Synonyms: | 1,8-Dimethyl-4-oxo-4,5-dihydroimidazo[1,2-a]quinoxaline-2-carboxylic acid;Imidazo[1,2-a]quinoxaline-2-carboxylic acid, 4,5-dihydro-1,8-dimethyl-4-oxo-; |
Density: | 1.543 g/cm3 |
PSA: | 87.46000 |
LogP: | 1.49080 |
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The 2-(2-Hydroxyacetyl)-1,8-dimethylimidazo[1,2-a]quinoxalin-4(5H)-one with CAS registry number of 164329-73-1 is also known as Imidazo[1,2-a]quinoxaline-2-carboxylic acid, 4,5-dihydro-1,8-dimethyl-4-oxo-. The systematic name is 1,8-Dimethyl-4-oxo-4,5-dihydroimidazo[1,2-a]quinoxaline-2-carboxylic acid. In addition, the formula is C13H11N3O3 and the molecular weight is 257.24.
Physical properties about 2-(2-Hydroxyacetyl)-1,8-dimethylimidazo[1,2-a]quinoxalin-4(5H)-one are: (1)ACD/LogP: 3.05; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.737; (10)Molar Refractivity: 67.057 cm3; (11)Molar Volume: 166.704 cm3; (12)Surface Tension: 61.854 dyne/cm; (13)Density: 1.543 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: OC(=O)c2nc3C(=O)Nc1ccc(C)cc1n3c2C
2. InChI: InChI=1/C13H11N3O3/c1-6-3-4-8-9(5-6)16-7(2)10(13(18)19)15-11(16)12(17)14-8/h3-5H,1-2H3,(H,14,17)(H,18,19)
3. InChIKey: SLVGWYSZEWCQAI-UHFFFAOYAM
4. Std. InChI: InChI=1S/C13H11N3O3/c1-6-3-4-8-9(5-6)16-7(2)10(13(18)19)15-11(16)12(17)14-8/h3-5H,1-2H3,(H,14,17)(H,18,19)
5. Std. InChIKey: SLVGWYSZEWCQAI-UHFFFAOYSA-N