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790262-67-8

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Basic Information
CAS No.: 790262-67-8
Name: 5-(1H-IMIDAZOL-4-YL)-2-METHOXY-PYRIDINE
Article Data: 4
Molecular Structure:
Molecular Structure of 790262-67-8 (5-(1H-IMIDAZOL-4-YL)-2-METHOXY-PYRIDINE)
Formula: C9H9N3O
Molecular Weight: 175.19
Synonyms: Pyridine,5-(1H-imidazol-4-yl)-2-methoxy- (9CI);
Density: 1.221 g/cm3
Boiling Point: 414.634 °C at 760 mmHg
Flash Point: 149.914 °C
PSA: 50.80000
LogP: 1.48030
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    Molecular Formula: C9H9N3O Formula Weight: 175.18726

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Specification

The Pyridine, 5-(1H-imidazol-5-yl)-2-methoxy-, with the CAS registry number 790262-67-8, is also known as Pyridine, 5-(1H-imidazol-4-yl)-2-methoxy- (9CI). It belongs to the product category of Methoxy. This chemical's molecular formula is C9H9N3O and molecular weight is 175.19. What's more, its systematic name is 5-(1H-Imidazol-5-yl)-2-methoxypyridine.

Physical properties about Pyridine, 5-(1H-imidazol-5-yl)-2-methoxy- are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 49; (8)ACD/KOC (pH 7.4): 53; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.8 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 48.139 cm3; (15)Molar Volume: 143.49 cm3; (16)Polarizability: 19.084×10-24 cm3; (17)Surface Tension: 51.935 dyne/cm; (18)Density: 1.221 g/cm3; (19)Flash Point: 149.914 °C; (20)Enthalpy of Vaporization: 64.168 kJ/mol; (21)Boiling Point: 414.634 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(OC)ccc(c1)c2cncn2
(2) InChI: InChI=1/C9H9N3O/c1-13-9-3-2-7(4-11-9)8-5-10-6-12-8/h2-6H,1H3,(H,10,12)
(3) InChIKey: CWCCWNCHEATMPU-UHFFFAOYAD