Name: 6-HYDROXY-2-METHYLPYRIMIDINE-4-ACETIC ACID METHYL ESTER
SKU: 64532-22-5

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Basic Information

Molecular Structure:
CAS No.:	64532-22-5
Name:	6-HYDROXY-2-METHYLPYRIMIDINE-4-ACETIC ACID METHYL ESTER
Article Data:	4

Formula:	C₈H₁₀N₂O₃
Molecular Weight:	168.152
Synonyms:	4-Pyrimidinecarboxylicacid, 6-hydroxy-2-methyl-, methyl ester (7CI);
Density:	1.271 g/cm³
Boiling Point:	312.359 °C at 760 mmHg
Flash Point:	142.71 °C
PSA:	72.31000
LogP:	0.20610

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Specification

The 4-Pyrimidinecarboxylicacid, 1,6-dihydro-2-methyl-6-oxo-, methyl ester, with the CAS registry number 64532-22-5, is also known as Methyl (6-hydroxy-2-methylpyrimidin-4-yl)acetate. This chemical's molecular formula is C₈H₁₀N₂O₃ and molecular weight is 182.18. Its IUPAC name is called methyl 2-(2-methyl-4-oxo-1H-pyrimidin-6-yl)acetate.

Physical properties of 4-Pyrimidinecarboxylicacid, 1,6-dihydro-2-methyl-6-oxo-, methyl ester: (1)ACD/LogP: 0.26; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11.871; (5)ACD/KOC (pH 7.4): 11.058; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.542; (10)Molar Refractivity: 45.099 cm³; (11)Molar Volume: 143.392 cm³; (12)Surface Tension: 54.351 dyne/cm; (13)Density: 1.271 g/cm³; (14)Flash Point: 142.71 °C; (15)Enthalpy of Vaporization: 57.541 kJ/mol; (16)Boiling Point: 312.359 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC(=O)C=C(N1)CC(=O)OC
(2)InChI: InChI=1S/C8H10N2O3/c1-5-9-6(3-7(11)10-5)4-8(12)13-2/h3H,4H2,1-2H3,(H,9,10,11)
(3)InChIKey: CBYVPWZIMOUYSW-UHFFFAOYSA-N