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CAS No.: | 284682-27-5 |
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Name: | 5-HYDROXYPYRIMIDINE |
Molecular Structure: | |
Formula: | C4H3N2O |
Molecular Weight: | 95.0874 |
Synonyms: | pyrimidin-5-ol;5-pyrimidinol;2-pyrimidinol;Pyrimidin-5-ol; |
Density: | 1.293 g/cm3 |
Boiling Point: | 227.2 °C at 760 mmHg |
Flash Point: | 91.2 °C |
PSA: | 46.01000 |
LogP: | 0.18220 |
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The 5-Pyrimidinyloxy, with the CAS registry number 284682-27-5, has the sydtematic name of pyrimidin-5-ol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C4H3N2O.
The characteristics of 5-Pyrimidinyloxy are as followings: (1)ACD/LogP: -1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -2.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 24.31 cm3; (15)Molar Volume: 74.3 cm3; (16)Polarizability: 9.63×10-24cm3; (17)Surface Tension: 64.4 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 91.2 °C; (20)Enthalpy of Vaporization: 48.26 kJ/mol; (21)Boiling Point: 227.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0522 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1cncnc1
(2)InChI: InChI=1/C4H4N2O/c7-4-1-5-3-6-2-4/h1-3,7H
(3)InChIKey: LTXJLQINBYSQFU-UHFFFAOYAR