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| CAS No.: | 105596-61-0 |
|---|---|
| Name: | Ethyl 2-methoxyisonicotinate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H11NO3 |
| Molecular Weight: | 181.191 |
| Synonyms: | pyridin-2-ylamino |
| Density: | 1.124 g/cm3 |
| Boiling Point: | 254.5 °C at 760 mmHg |
| Flash Point: | 107.7 °C |
| Appearance: | white crystalline power |
| PSA: | 48.42000 |
| LogP: | 1.26690 |
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- Total:30 Page 1 of 1 1
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Specification
The CAS register number of Ethyl 2-methoxyisonicotinate is 105596-61-0. It also can be called as 4-pyridinecarboxylic acid, 2-methoxy-, ethyl ester and the systematic name about this chemical is Ethyl 2-methoxypyridine-4-carboxylate.
Physical properties about Ethyl 2-methoxyisonicotinate are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.98; (6)ACD/BCF (pH 7.4): 18.98; (7)ACD/KOC (pH 5.5): 286.11; (8)ACD/KOC (pH 7.4): 286.13; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48.42Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 47.42 cm3; (15)Molar Volume: 161 cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.124 g/cm3; (18)Flash Point: 107.7 °C; (19)Enthalpy of Vaporization: 49.2 kJ/mol; (20)Boiling Point: 254.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0172 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: COc1cc(ccn1)C(=O)OCC
2.InChI: InChI=1/C9H11NO3/c1-3-13-9(11)7-4-5-10-8(6-7)12-2/h4-6H,3H2,1-2H3
3.InChIKey: VGDZPGBZLGNFBF-UHFFFAOYAW
4.Std. InChI: InChI=1S/C9H11NO3/c1-3-13-9(11)7-4-5-10-8(6-7)12-2/h4-6H,3H2,1-2H3