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128276-49-3

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Basic Information
CAS No.: 128276-49-3
Name: Ethyl 4,6-dimethoxypyrimidine-2-carboxylate
Article Data: 3
Molecular Structure:
Molecular Structure of 128276-49-3 (Ethyl 4,6-dimethoxypyrimidine-2-carboxylate)
Formula: C9H12N2O4
Molecular Weight: 212.2026
Synonyms: 4,6-Dimethoxypyrimidine-2-carboxylic acid, ethyl ester;
Density: 1.19 g/cm3
Boiling Point: 351.7 °C at 760 mmHg
Flash Point: 166.5 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 70.54000
LogP: 0.67050
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Specification

The 2-Pyrimidinecarboxylicacid, 4,6-dimethoxy-, ethyl ester, with the CAS registry number of 128276-49-3, is also known as 4,6-Dimethoxypyrimidine-2-carboxylic acid, ethyl ester. Its molecular formula is C9H12N2O4 and molecular weight is 212.2026. What's more, its systematic name is Ethyl 4,6-dimethoxypyrimidine-2-carboxylate.

Physical properties about the 2-Pyrimidinecarboxylicacid, 4,6-dimethoxy-, ethyl ester are: (1)ACD/LogP: -0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.21; (8)ACD/KOC (pH 7.4): 12.21; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 70.54 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 52.19 cm3; (15)Molar Volume: 178.2 cm3; (16)Surface Tension: 41.8 dyne/cm; (17)Density: 1.19 g/cm3; (18)Flash Point: 166.5 °C; (19)Enthalpy of Vaporization: 59.64 kJ/mol; (20)Boiling Point: 351.7 °C at 760 mmHg; (21)Vapour Pressure: 4.05E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1nc(OC)cc(OC)n1
(2) InChI: InChI=1/C9H12N2O4/c1-4-15-9(12)8-10-6(13-2)5-7(11-8)14-3/h5H,4H2,1-3H3
(3) InChIKey: ODMOQVSDVCHMLF-UHFFFAOYAA