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| CAS No.: | 157335-92-7 |
|---|---|
| Name: | 5-Pyrimidinecarboxylicacid,4-methyl- |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H6N2O2 |
| Molecular Weight: | 138.126 |
| Synonyms: | 4-Methyl-5-pyrimidinecarboxylicacid;4-Methylpyrimidine-5-carboxylic acid; |
| Density: | 1.319 g/cm3 |
| Boiling Point: | 316.6 °C at 760 mmHg |
| Flash Point: | 145.3 °C |
| PSA: | 63.08000 |
| LogP: | 0.48320 |
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Specification
The 4-Methylpyrimidine-5-carboxylic acid with the cas number 157335-92-7 is also called 5-Pyrimidinecarboxylic acid, 4-methyl-. The molecular formula is C6H6N2O2. This chemical belongs to the following product categories: (1)CARBOXYLICACID; (2)PYRIMIDINE.
The properties of the chemical are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 63.08 Å2; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 34.19 cm3; (13)Molar Volume: 104.6 cm3; (14)Polarizability: 13.55×10-24cm3; (15)Surface Tension: 63.3 dyne/cm; (16)Enthalpy of Vaporization: 58.9 kJ/mol; (17)Vapour Pressure: 0.000171 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ncncc1C(=O)O
(2)InChI: InChI=1/C6H6N2O2/c1-4-5(6(9)10)2-7-3-8-4/h2-3H,1H3,(H,9,10)
(3)InChIKey: MGRYVXAAUYHOSI-UHFFFAOYAT