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| CAS No.: | 71777-70-3 |
|---|---|
| Name: | 4-Ethoxy-2-pyridinecarboxylic acid ethyl ester |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C10H13NO3 |
| Molecular Weight: | 195.218 |
| Synonyms: | Picolinicacid, 4-ethoxy-, ethyl ester (7CI);Ethyl 4-ethoxypicolinate; |
| Density: | 1.099g/cm3 |
| Boiling Point: | 309 °C at 760 mmHg |
| Flash Point: | 140.7 °C |
| PSA: | 48.42000 |
| LogP: | 1.65700 |
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- Total:20 Page 1 of 1 1
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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