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| CAS No.: | 885952-26-1 |
|---|---|
| Name: | 2-BENZYLOXY-3-HYDROXYPYRIDINE |
| Molecular Structure: | |
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| Formula: | C12H11NO2 |
| Molecular Weight: | 201.22 |
| Synonyms: | 2-(Benzyloxy)-3-hydroxypyridine; |
| Density: | 1.213 g/cm3 |
| Melting Point: | 70-72°C |
| Boiling Point: | 402.5 °C at 760 mmHg |
| Flash Point: | 197.2 °C |
| Solubility: | insoluble in water |
| Appearance: | white crystalline powder |
| PSA: | 42.35000 |
| LogP: | 2.36620 |
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- Total:17 Page 1 of 1 1
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Specification
This chemical is called 3-Pyridinol,2-(phenylmethoxy)-, and its systematic name is 2-Benzyloxy-pyridin-3-ol. With the molecular formula of C12H11NO2, its molecular weight is 201.22. The CAS registry number of this chemical is 885952-26-1, and its product categories are pharmacetical; Pyridines. Additionally, this chemical should be stored sealed in the cool and dry place.
Other characteristics of the 3-Pyridinol,2-(phenylmethoxy)- can be summarised as followings: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.53; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 42.35 Å2; (9)Index of Refraction: 1.608; (10)Molar Refractivity: 57.39 cm3; (11)Molar Volume: 165.7 cm3; (12)Polarizability: 22.75×10-24cm3; (13)Surface Tension: 52 dyne/cm; (14)Density: 1.213 g/cm3; (15)Flash Point: 197.2 °C; (16)Enthalpy of Vaporization: 67.91 kJ/mol; (17)Boiling Point: 402.5 °C at 760 mmHg; (18)Vapour Pressure: 4.71E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc2cccnc2OCc1ccccc1
2.InChI: InChI=1/C12H11NO2/c14-11-7-4-8-13-12(11)15-9-10-5-2-1-3-6-10/h1-8,14H,9H2
3.InChIKey: BTQJWSSEBZRZKZ-UHFFFAOYAV