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157335-94-9

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Basic Information
CAS No.: 157335-94-9
Name: 5-Pyrimidinecarboxylicacid,4-methyl-,methylester(9CI)
Molecular Structure:
Molecular Structure of 157335-94-9 (5-Pyrimidinecarboxylicacid,4-methyl-,methylester(9CI))
Formula: C7H8N2O2
Molecular Weight: 152.153
Synonyms: 4-Methyl-5-pyrimidinecarboxylicacid methyl ester;
Density: 1.17 g/cm3
Boiling Point: 234.218 °C at 760 mmHg
Flash Point: 95.452 °C
PSA: 52.08000
LogP: 0.57160
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    4-Methyl-5-pyrimidinecarboxylic acid methyl ester

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    5-Pyrimidinecarboxylicacid, 4-methyl-, methyl ester

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  • 5-Pyrimidinecarboxylicacid,4-methyl-,methylester(9CI)

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    5-Pyrimidinecarboxylicacid,4-methyl-,methylester(9CI)

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Specification

The systematic name of 4-Methyl-5-pyrimidinecarboxylic acid methyl ester is Methyl 4-methylpyrimidine-5-carboxylate. With the CAS registry number 157335-94-9, it is also named as 5-Pyrimidinecarboxylicacid, 4-methyl-, methyl ester. The product's category is carboxylicester, its molecular formula is C7H8N2O2 and its molecular weight is 152.15. 

The other characteristics of 4-Methyl-5-pyrimidinecarboxylic acid methyl ester can be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 23.064; (4)ACD/KOC (pH 7.4): 23.064; (5)H bond acceptors: 4; (6)H bond donors: 0; (7)Freely Rotating Bonds: 2; (8)Polar Surface Area: 52.08 Å2; (9)Index of Refraction: 1.512; (10)Molar Refractivity: 39.033 cm3; (11)Molar Volume: 130.049 cm3; (12)Polarizability: 15.474×10-24cm3; (13)Surface Tension: 45.663 dyne/cm; (14)Density: 1.17 g/cm3; (15)Flash Point: 95.452 °C; (16)Enthalpy of Vaporization: 47.095 kJ/mol; (17)Boiling Point: 234.218 °C at 760 mmHg; (18)Vapour Pressure: 0.054 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1c(cncn1)C(=O)OC
(2)InChI:InChI=1/C7H8N2O2/c1-5-6(7(10)11-2)3-8-4-9-5/h3-4H,1-2H3
(3)InChIKey:WMPWUXKYSICQGG-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C7H8N2O2/c1-5-6(7(10)11-2)3-8-4-9-5/h3-4H,1-2H3
(5)Std. InChIKey:WMPWUXKYSICQGG-UHFFFAOYSA-N