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90417-31-5

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Basic Information
CAS No.: 90417-31-5
Name: 5-CYANOPYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Article Data: 7
Molecular Structure:
Molecular Structure of 90417-31-5 (5-CYANOPYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER)
Formula: C9H8N2O2
Molecular Weight: 176.17
Synonyms: Ethyl 5-cyanonicotinate;
Density: 1.21 g/cm3
Boiling Point: 283.8 °C at 760 mmHg
Flash Point: 125.4 °C
PSA: 62.98000
LogP: 1.12998
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Specification

The 3-Pyridinecarboxylicacid, 5-cyano-, ethyl ester, with the CAS registry number 90417-31-5, is also known as Ethyl 5-cyanonicotinate. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.17. Its systematic name is called ethyl 5-cyanopyridine-3-carboxylate.

Physical properties of 3-Pyridinecarboxylicacid, 5-cyano-, ethyl ester: (1)ACD/LogP: 1.37; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.528; (5)Molar Refractivity: 44.86 cm3; (6)Molar Volume: 145.5 cm3; (7)Surface Tension: 52.8 dyne/cm; (8)Density: 1.21 g/cm3; (9)Flash Point: 125.4 °C; (10)Enthalpy of Vaporization: 52.27 kJ/mol; (11)Boiling Point: 283.8 °C at 760 mmHg; (12)Vapour Pressure: 0.0031 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(C(=O)OCC)cnc1
(2)InChI: InChI=1/C9H8N2O2/c1-2-13-9(12)8-3-7(4-10)5-11-6-8/h3,5-6H,2H2,1H3
(3)InChIKey: PQINZTXTQYRDBV-UHFFFAOYAX