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CAS No.: | 15400-58-5 |
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Name: | Methyl 2,4-dimethoxypyrimidine-5-carboxylate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H10N2O4 |
Molecular Weight: | 198.176 |
Synonyms: | 5-pyrimidinecarboxylic acid, 2,4-dimethoxy-, methyl ester; |
Density: | 1.225 g/cm3 |
Boiling Point: | 327.808 °C at 760 mmHg |
Flash Point: | 152.053 °C |
PSA: | 70.54000 |
LogP: | 0.28040 |
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The Methyl 2,4-dimethoxypyrimidine-5-carboxylate, with the CAS registry number 15400-58-5, is also known as 5-Pyrimidinecarboxylic acid, 2,4-dimethoxy-, methyl ester. This chemical's molecular formula is C8H10N2O4 and molecular weight is 198.176. Its systematic name is called methyl 2,4-dimethoxypyrimidine-5-carboxylate.
Physical properties of Methyl 2,4-dimethoxypyrimidine-5-carboxylate: (1)ACD/LogP: -1.07; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 81; (7)ACD/KOC (pH 7.4): 81; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.5; (11)Molar Refractivity: 47.566 cm3; (12)Molar Volume: 161.778 cm3; (13)Surface Tension: 42.786 dyne/cm; (14)Density: 1.225 g/cm3; (15)Flash Point: 152.053 °C; (16)Enthalpy of Vaporization: 57.014 kJ/mol; (17)Boiling Point: 327.808 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1nc(OC)c(cn1)C(=O)OC
(2)InChI: InChI=1/C8H10N2O4/c1-12-6-5(7(11)13-2)4-9-8(10-6)14-3/h4H,1-3H3
(3)InChIKey: HDQHTPWKNFCTDN-UHFFFAOYAN