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562840-47-5

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Basic Information
CAS No.: 562840-47-5
Name: 2,6-DIMETHOXYPYRIDINE-3-METHANOL
Article Data: 4
Molecular Structure:
Molecular Structure of 562840-47-5 (2,6-DIMETHOXYPYRIDINE-3-METHANOL)
Formula: C8H11NO3
Molecular Weight: 169.18
Synonyms: (2,6-Dimethoxypyridin-3-yl)methanol;2,6-Dimethoxypyridine-3-methanol;
Density: 1.17 g/cm3
Melting Point: 56-60°C
Boiling Point: 271.2 °C at 760 mmHg
Flash Point: 117.8 °C
Hazard Symbols: Xn
Risk Codes: 22-37/38-41
PSA: 51.58000
LogP: 0.59110
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Specification

The 3-Pyridinemethanol, 2,6-dimethoxy-, with the CAS registry number 562840-47-5, is also known as 2,6-Dimethoxypyridine-3-methanol. This chemical's molecular formula is C8H11NO3 and molecular weight is 169.18. What's more, its systematic name is (2,6-dimethoxypyridin-3-yl)methanol.

Physical properties of 3-Pyridinemethanol, 2,6-dimethoxy- are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.74; (6)ACD/BCF (pH 7.4): 1.74; (7)ACD/KOC (pH 5.5): 51.64; (8)ACD/KOC (pH 7.4): 51.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.58 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 44.15 cm3; (15)Molar Volume: 144.4 cm3; (16)Polarizability: 17.5×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 117.8 °C; (20)Enthalpy of Vaporization: 53.81 kJ/mol; (21)Boiling Point: 271.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00322 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nc(OC)ccc1CO)C
(2)InChI: InChI=1S/C8H11NO3/c1-11-7-4-3-6(5-10)8(9-7)12-2/h3-4,10H,5H2,1-2H3
(3)InChIKey: XACFTRAAEZWJMN-UHFFFAOYSA-N