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CAS No.: | 6104-41-2 |
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Name: | Pyrimidine, 4-methoxy- (6CI,7CI,8CI,9CI) |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C5H6N2O |
Molecular Weight: | 110.115 |
Synonyms: | 4-Methoxypyrimidine;NSC 193519; |
Density: | 1.102g/cm3 |
Boiling Point: | 181.7 °C at 760 mmHg |
Flash Point: | 64.4 °C |
PSA: | 35.01000 |
LogP: | 0.48520 |
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The Pyrimidine, 4-methoxy-, with CAS registry number 6104-41-2, belongs to the following product categories: Pyrimidine. It has the systematic name of 4-methoxypyrimidine. Besides this, it is also called Methyl 4-pyrimidinyl ether. And the chemical formula of this chemical is C5H6N2O.
Physical properties of Pyrimidine, 4-methoxy-: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.01 Å2; (7)Index of Refraction: 1.494; (8)Molar Refractivity: 29.11 cm3; (9)Molar Volume: 99.8 cm3; (10)Polarizability: 11.54×10-24cm3; (11)Surface Tension: 40.6 dyne/cm; (12)Density: 1.102 g/cm3; (13)Flash Point: 64.4 °C; (14)Enthalpy of Vaporization: 40.08 kJ/mol; (15)Boiling Point: 181.7 °C at 760 mmHg; (16)Vapour Pressure: 1.15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ncncc1)C
(2)InChI: InChI=1/C5H6N2O/c1-8-5-2-3-6-4-7-5/h2-4H,1H3
(3)InChIKey: PENVYHXKYYCYML-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H6N2O/c1-8-5-2-3-6-4-7-5/h2-4H,1H3
(5)Std. InChIKey: PENVYHXKYYCYML-UHFFFAOYSA-N