3-Pyridinol,6-(phenylmethoxy)- supplier

Name
6-BENZYLOXY-3-HYDROXYPYRIDINE
EINECS
CAS No. 725256-57-5
Article Data2
CAS DataBase
Density 1.213 g/cm³
Solubility
Melting Point 90-93oC
Formula C₁₂H₁₁NO₂
Boiling Point 430.1 °C at 760 mmHg
Molecular Weight 201.225
Flash Point 213.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Benzyloxypyridin-3-ol;6-benzyloxypyridin-3-ol;3-pyridinol, 6-(phenylmethoxy)-;6-(Benzyloxy)pyridin-3-ol;
PSA 42.35000
LogP 2.36620

3-Pyridinol,6-(phenylmethoxy)- 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

Product Name

6-BENZYLOXY-3-HYDROXYPYRIDINE

3-Pyridinol,6-(phenylmethoxy)- Specification

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