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CAS No.: | 57075-57-7 |
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Name: | 6-Amino-5-nitroso-2-(2-propoxyphenyl)-4(1H)-pyrimidinone |
Molecular Structure: | |
Formula: | C13H14N4O3 |
Molecular Weight: | 274.28 |
Synonyms: | 6-AMINO-5-NITROSO-2-(2-PROPOXYPHENYL)-4(1H)-PYRIMIDINONE |
Density: | 1.39 g/cm3 |
PSA: | 110.43000 |
LogP: | 2.78700 |
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The 6-Amino-5-nitroso-2-(2-propoxyphenyl)-4(1H)-pyrimidinone is the organic compound with the formula C13H14N4O3. With the CAS registry number 57075-57-7, its IUPAC name is 6-amino-5-nitroso-2-(2-propoxyphenyl)pyrimidin-4(3H)-one.
Physical properties of 6-Amino-5-nitroso-2-(2-propoxyphenyl)-4(1H)-pyrimidinone: (1)ACD/LogP: 1.62; (2)ACD/LogD (pH 5.5): 1.62; (3)ACD/LogD (pH 7.4): 1.26; (4)ACD/BCF (pH 5.5): 9.9; (5)ACD/BCF (pH 7.4): 4.38; (6)ACD/KOC (pH 5.5): 178.76; (7)ACD/KOC (pH 7.4): 78.99; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.648; (12)Molar Refractivity: 71.34 cm3; (13)Molar Volume: 196 cm3; (14)Surface Tension: 55.9 dyne/cm; (15)Density: 1.39 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCOc1ccccc1C=2NC(=O)C(/N=O)=C(/N)\N=2
(2)InChI: InChI=1/C13H14N4O3/c1-2-7-20-9-6-4-3-5-8(9)12-15-11(14)10(17-19)13(18)16-12/h3-6H,2,7H2,1H3,(H3,14,15,16,18)
(3)InChIKey: QSSCXFWTBFEVMQ-UHFFFAOYAH