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CAS No.: | 99420-75-4 |
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Name: | 2-Pyrimidinecarboxylic acid, 5-methyl- (6CI,9CI) |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H6N2O2 |
Molecular Weight: | 138.126 |
Synonyms: | 5-Methyl-pyrimidin-2-carbonsaeure;2-PYRIMIDINECARBOXYLIC ACID,5-METHYL;5-METHYL-2-PYRIMIDINECARBOXYLIC ACID;5-methyl-pyrimidine-2-carboxylic acid;RB3298; |
Density: | 1.319 g/cm3 |
Melting Point: | 157-161℃ |
Boiling Point: | 362.8 °C at 760 mmHg |
Flash Point: | 173.2 °C |
Safety: | 24/25 |
PSA: | 63.08000 |
LogP: | 0.48320 |
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The CAS registry number of 2-Pyrimidinecarboxylicacid, 5-methyl- is 99420-75-4. The systematic name is 5-methylpyrimidine-2-carboxylic acid. In addition, the molecular formula is C6H6N2O2 and the molecular weight is 138.12. What's more, it belongs to the classes of Pyrimidine; Pharmacetical. And it should be stored in a cool and dry place.
Physical properties about 2-Pyrimidinecarboxylicacid, 5-methyl- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 63.08 Å2; (9)Index of Refraction: 1.566; (10)Molar Refractivity: 34.19 cm3; (11)Molar Volume: 104.6 cm3; (12)Polarizability: 13.55 ×10-24cm3; (13)Surface Tension: 63.3 dyne/cm; (14)Density: 1.319 g/cm3; (15)Flash Point: 173.2 °C; (16)Enthalpy of Vaporization: 64.23 kJ/mol; (17)Boiling Point: 362.8 °C at 760 mmHg; (18)Vapour Pressure: 6.72E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnc(nc1)C(=O)O
(2)InChI: InChI=1/C6H6N2O2/c1-4-2-7-5(6(9)10)8-3-4/h2-3H,1H3,(H,9,10)
(3)InChIKey: BADCKQUVPNDPJZ-UHFFFAOYAA