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CAS No.: | 51647-90-6 |
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Name: | 5,7-Dihydroxyimidazo[1,2-α]pyrimidine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H5N3O2 |
Molecular Weight: | 151.1228 |
Synonyms: | Imidazo[1,2-a]pyrimidine-5,7-diol;5,7-Dihydroxyimidazo[1,2-a]pyrimidine; |
Density: | 1.741 g/cm3 |
Appearance: | Off-white solid |
PSA: | 70.65000 |
LogP: | 0.14050 |
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The 5,7-Dihydroxyimidazo[1,2-a]pyrimidine, with the CAS registry number 51647-90-6, is also known as 5-hydroxyimidazo[1,2-a]pyrimidin-7(8H)-one. Its molecular formula is C6H5N3O2 and its systematic name is imidazo[1,2-a]pyrimidine-5,7-diol. Moreover, this chemical is off-white solid which should be sealed in the cool and dry place. Additionally, its product categories are Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides.
Physical properties about 5,7-Dihydroxyimidazo[1,2-a]pyrimidine are: (1)ACD/LogP: 0.84; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 70.65 Å2; (10)Index of Refraction: 1.793; (11)Molar Refractivity: 36.862 cm3; (12)Molar Volume: 86.781 cm3; (13)Polarizability: 14.613x10-24cm3; (14)Surface Tension: 82.312 dyne/cm; (15)Density: 1.741 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(O)nc2nccn12
(2)InChI: InChI=1/C6H5N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3,11H,(H,7,8,10)
(3)InChIKey: BELWUABPSOOYPK-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H5N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3,11H,(H,7,8,10)
(5)Std. InChIKey: BELWUABPSOOYPK-UHFFFAOYSA-N