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2-Pyridinecarboxylicacid, 4-ethoxy-, ethyl ester (71777-70-3)

Identification
Name:2-Pyridinecarboxylicacid, 4-ethoxy-, ethyl ester
Synonyms:Picolinicacid, 4-ethoxy-, ethyl ester (7CI);Ethyl 4-ethoxypicolinate;
CAS:71777-70-3
Molecular Formula: C10H13NO3
Molecular Weight: 195.22
InChI: InChI=1/C10H13NO3/c1-3-13-8-5-6-11-9(7-8)10(12)14-4-2/h5-7H,3-4H2,1-2H3
Molecular Structure: (C10H13NO3) Picolinicacid, 4-ethoxy-, ethyl ester (7CI);Ethyl 4-ethoxypicolinate;
Properties
Density:1.099
Refractive index:1.498
Specification:

The Ethyl 4-ethoxy-2-pyridinecarboxylate with cas registry number of 71777-70-3, has the systematic name of 2-pyridinecarboxylic acid, 4-ethoxy-, ethyl ester. And it is also named 2-pyridinecarboxylic acid, 4-ethoxy-, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.88; (6)ACD/BCF (pH 7.4): 14.03; (7)ACD/KOC (pH 5.5): 228; (8)ACD/KOC (pH 7.4): 230.45; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 48.42 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 52.06 cm3; (15)Molar Volume: 177.5 cm3; (16)Polarizability: 20.63×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Enthalpy of Vaporization: 54.97 kJ/mol; (19)Vapour Pressure: 0.000657 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CCOc1ccnc(c1)C(=O)OCC;
(2)InChI: InChI=1/C10H13NO3/c1-3-13-8-5-6-11-9(7-8)10(12)14-4-2/h5-7H,3-4H2,1-2H3;
(3)InChIKey: LJXADWCGSBYCDC-UHFFFAOYAJ;
(4)Std. InChI: InChI=1S/C10H13NO3/c1-3-13-8-5-6-11-9(7-8)10(12)14-4-2/h5-7H,3-4H2,1-2H3;
(5)Std. InChIKey: LJXADWCGSBYCDC-UHFFFAOYSA-N

Safety Data
 

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