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14906-37-7

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Basic Information
CAS No.: 14906-37-7
Name: Ethyl isonicotinate N-oxide
Article Data: 18
Molecular Structure:
Molecular Structure of 14906-37-7 (Ethyl isonicotinate N-oxide)
Formula: C8H9NO3
Molecular Weight: 167.164
Synonyms: Isonicotinicacid, ethyl ester, 1-oxide (6CI,8CI);4-Carbethoxypyridine 1-oxide;4-Ethoxycarbonylpyridine N-oxide;Ethyl isonicotinate 1-oxide;Ethylisonicotinate N-oxide;Ethyl isonicotinate oxide;Ethyl pyridine-4-carboxylateN-oxide;
Density: 1.16 g/cm3
Melting Point: 68-70 °C
Boiling Point: 345.8 °C at 760 mmHg
Flash Point: 162.9 °C
PSA: 51.76000
LogP: 1.29180
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Specification

The Ethyl isonicotinate N-oxide, with the CAS registry number 14906-37-7, is also known as 4-Pyridinecarboxylic acid ethyl ester 1-oxide. This chemical's molecular formula is C8H9NO3 and molecular weight is 167.16. Its systematic name is called ethyl pyridine-4-carboxylate 1-oxide.

Physical properties of Ethyl isonicotinate N-oxide: (1)ACD/LogP: -0.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 50.41 Å2; (7)Index of Refraction: 1.52; (8)Molar Refractivity: 43.72 cm3; (9)Molar Volume: 143.7 cm3; (10)Surface Tension: 41.8 dyne/cm; (11)Density: 1.16 g/cm3; (12)Flash Point: 162.9 °C; (13)Enthalpy of Vaporization: 58.99 kJ/mol; (14)Boiling Point: 345.8 °C at 760 mmHg; (15)Vapour Pressure: 6.03E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][n+]1ccc(C(=O)OCC)cc1
(2)InChI: InChI=1/C8H9NO3/c1-2-12-8(10)7-3-5-9(11)6-4-7/h3-6H,2H2,1H3
(3)InChIKey: DPWRGNWJVVSVIE-UHFFFAOYAP