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101003-65-0

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Basic Information
CAS No.: 101003-65-0
Name: 4'-HYDROXY-2,2':6',2''-TERPYRIDINE
Article Data: 4
Molecular Structure:
Molecular Structure of 101003-65-0 (4'-HYDROXY-2,2':6',2''-TERPYRIDINE)
Formula: C15H11N3O
Molecular Weight: 249.272
Synonyms: 2,6-Bis(2'-pyridyl)-4-hydroxypyridine;2,6-Bis(pyridine-2-yl)pyridine-4-ol;2,6-Di(2-pyridyl)-4-hydroxypyridine;
Density: 1.269 g/cm3
Melting Point: 178 °C
Boiling Point: 505.5 °C at 760 mmHg
Flash Point: 259.5 °C
PSA: 58.90000
LogP: 2.91120
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Specification

The CAS registry number of [2,2':6',2''-Terpyridin]-4'-ol is 101003-65-0. In addition, the molecular formula is C15H11N3O and the molecular weight is 249.27. The systematic name is 2,2':6',2''-terpyridin-4'(1'H)-one. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about [2,2':6',2''-Terpyridin]-4'-ol are: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): -2.8; (3)ACD/LogD (pH 7.4): -2.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.09 Å2; (12)Index of Refraction: 1.64; (13)Molar Refractivity: 70.8 cm3; (14)Molar Volume: 196.3 cm3; (15)Polarizability: 28.07 ×10-24cm3; (16)Surface Tension: 57.4 dyne/cm; (17)Density: 1.269 g/cm3; (18)Flash Point: 259.5 °C; (19)Enthalpy of Vaporization: 77.51 kJ/mol; (20)Boiling Point: 505.5 °C at 760 mmHg; (21)Vapour Pressure: 2.43E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)c2cc(=O)cc([nH]2)c3ccccn3
(2)Std. InChI: InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19)
(3)Std. InChIKey: HRORSVNZQWCZTD-UHFFFAOYSA-N