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127958-06-9

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Basic Information
CAS No.: 127958-06-9
Name: 5-Pyrimidinecarboxylic acid, 4-ethyl-2-methyl- (9CI)
Article Data: 1
Molecular Structure:
Molecular Structure of 127958-06-9 (5-Pyrimidinecarboxylic acid, 4-ethyl-2-methyl- (9CI))
Formula: C8H10N2O2
Molecular Weight: 166.18
Synonyms: 4-Ethyl-2-methylpyrimidine-5-carboxylic acid;
Density: 1.209 g/cm3
Boiling Point: 295.115 °C at 760 mmHg
Flash Point: 132.281 °C
PSA: 63.08000
LogP: 1.04560
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Specification

The CAS register number of 4-Ethyl-2-methylpyrimidine-5-carboxylic acid is 127958-06-9. It also can be called as 5-Pyrimidinecarboxylicacid, 4-ethyl-2-methyl- and the systematic name about this chemical is 4-ethyl-2-methylpyrimidine-5-carboxylic acid. The molecular formula about this chemical is C8H10N2O2 and the molecular weight is 166.18. It belongs to the Pyrimidine.

Physical properties about 4-Ethyl-2-methylpyrimidine-5-carboxylic acid are: (1)ACD/LogP: 1.10; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 63.08Å2; (10)Index of Refraction: 1.549; (11)Molar Refractivity: 43.74 cm3; (12)Molar Volume: 137.503 cm3; (13)Polarizability: 17.34x10-24cm3; (14)Surface Tension: 53.534 dyne/cm; (15)Enthalpy of Vaporization: 56.478 kJ/mol; (16)Boiling Point: 295.115 °C at 760 mmHg; (17)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1nc(C)ncc1C(O)=O
(2)InChI: InChI=1/C8H10N2O2/c1-3-7-6(8(11)12)4-9-5(2)10-7/h4H,3H2,1-2H3,(H,11,12)
(3)InChIKey: XQRXSIZGVKLXKW-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H10N2O2/c1-3-7-6(8(11)12)4-9-5(2)10-7/h4H,3H2,1-2H3,(H,11,12)
(5)Std. InChIKey: XQRXSIZGVKLXKW-UHFFFAOYSA-N