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Name |
4-Methylpyrimidine-5-carboxylic acid |
EINECS | N/A |
CAS No. | 157335-92-7 | Density | 1.319 g/cm3 |
PSA | 63.08000 | LogP | 0.48320 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H6N2O2 | Boiling Point | 316.6 °C at 760 mmHg |
Molecular Weight | 138.126 | Flash Point | 145.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Methyl-5-pyrimidinecarboxylicacid;4-Methylpyrimidine-5-carboxylic acid; |
Article Data | 2 |
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