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Ethyl 2-methoxyisonicotinate

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Name

Ethyl 2-methoxyisonicotinate

EINECS N/A
CAS No. 105596-61-0 Density 1.124 g/cm3
PSA 48.42000 LogP 1.26690
Solubility N/A Melting Point N/A
Formula C9H11NO3 Boiling Point 254.5 °C at 760 mmHg
Molecular Weight 181.191 Flash Point 107.7 °C
Transport Information N/A Appearance white crystalline power
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 105596-61-0 (Ethyl 2-methoxyisonicotinate) Hazard Symbols N/A
Synonyms

pyridin-2-ylamino

Article Data 3

Ethyl 2-methoxyisonicotinate 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

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