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725256-57-5

Basic Information
CAS No.: 725256-57-5
Name: 6-BENZYLOXY-3-HYDROXYPYRIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 725256-57-5 (6-BENZYLOXY-3-HYDROXYPYRIDINE)
Formula: C12H11NO2
Molecular Weight: 201.225
Synonyms: 6-Benzyloxypyridin-3-ol;6-benzyloxypyridin-3-ol;3-pyridinol, 6-(phenylmethoxy)-;6-(Benzyloxy)pyridin-3-ol;
Density: 1.213 g/cm3
Melting Point: 90-93oC
Boiling Point: 430.1 °C at 760 mmHg
Flash Point: 213.9 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 42.35000
LogP: 2.36620
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Specification

The 3-Pyridinol,6-(phenylmethoxy)-, with the CAS registry number 725256-57-5, has the systematic name of 6-benzyloxypyridin-3-ol. It belongs to the following product categories: Pharmacetical; Heterocyclic Compounds; Pyridines. And the molecular formula of the chemical is C12H11NO2.

The characteristics of 3-Pyridinol,6-(phenylmethoxy)- are as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.78; (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: 213.9 °C; (16)Enthalpy of Vaporization: 71.2 kJ/mol; (17)Boiling Point: 430.1 °C at 760 mmHg; (18)Vapour Pressure: 5.28E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc2cnc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C12H11NO2/c14-11-6-7-12(13-8-11)15-9-10-4-2-1-3-5-10/h1-8,14H,9H2
(3)InChIKey: VKPWAEVWZUALPZ-UHFFFAOYAA