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3-Pyridinecarboxylicacid, 6-methyl-, ethyl ester (21684-59-3)

Identification
Name:3-Pyridinecarboxylicacid, 6-methyl-, ethyl ester
Synonyms:Nicotinicacid, 6-methyl-, ethyl ester (7CI,8CI);6-Methylnicotinic acid ethyl ester;Ethyl 2-methyl-5-pyridinecarboxylate;Ethyl 6-methyl-3-pyridinecarboxylate;Ethyl 6-methylnicotinate;NSC 135041;
CAS:21684-59-3
Molecular Formula: C9H11NO2
Molecular Weight: 165.18914
InChI: InChI=1/C9H11NO2/c1-3-12-9(11)8-5-4-7(2)10-6-8/h4-6H,3H2,1-2H3
Molecular Structure: (C9H11NO2) Nicotinicacid, 6-methyl-, ethyl ester (7CI,8CI);6-Methylnicotinic acid ethyl ester;Ethyl 2-methyl-5-...
Properties
Flash Point: 92.2°C
Boiling Point: 228.9°Cat760mmHg
Density:1.077g/cm3
Refractive index:1.506
Specification:

The Ethyl 6-methylnicotinate, with CAS registry number 21684-59-3, has the systematic name of ethyl 6-methylpyridine-3-carboxylate. An d its IUPAC name is the same one. Besides this, it is also called 3-pyridinecarboxylic acid, 6-methyl-, ethyl ester. And the chemical formula of this chemical is C9H11NO2.

Physical properties of Ethyl 6-methylnicotinate: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.506; (8)Molar Refractivity: 45.57 cm3; (9)Molar Volume: 153.3 cm3; (10)Polarizability: 18.06×10-24cm3; (11)Surface Tension: 39.2 dyne/cm; (12)Enthalpy of Vaporization: 46.55 kJ/mol; (13)Vapour Pressure: 0.0715 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cnc(cc1)C
(2)InChI: InChI=1/C9H11NO2/c1-3-12-9(11)8-5-4-7(2)10-6-8/h4-6H,3H2,1-2H3
(3)InChIKey: FEWVINDUUUHRKM-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H11NO2/c1-3-12-9(11)8-5-4-7(2)10-6-8/h4-6H,3H2,1-2H3
(5)Std. InChIKey: FEWVINDUUUHRKM-UHFFFAOYSA-N

Flash Point: 92.2°C
Safety Data
 

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