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| CAS No.: | 56434-28-7 |
|---|---|
| Name: | 6-Methoxypyridazine-3-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C6H6N2O3 |
| Molecular Weight: | 154.12 |
| Synonyms: | 6-Methoxypyridazine-3-carboxylicacid; |
| Density: | 1.371g/cm3 |
| Melting Point: | 160-163 °C(Solv: methanol (67-56-1)) |
| Boiling Point: | 401 °C at 760 mmHg |
| Flash Point: | 196.3 °C |
| Hazard Symbols: | Xi |
| PSA: | 72.31000 |
| LogP: | 0.18340 |
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Specification
The 6-Methoxypyridazine-3-carboxylic acid, its cas register number is 56434-28-7. It also can be called as 3-Pyridazinecarboxylicacid, 6-methoxy- and the Systematic name about this chemical is 6-methoxypyridazine-3-carboxylic acid. It belongs to the following product categories, such as Carboxylic Acids, Pyrazines, Pyrimidines & Pyridazines, Carboxylic Acids, Pyrazines, Pyrimidines & Pyridazines, pyridazine, Building Blocks and so on.
Physical properties about 6-Methoxypyridazine-3-carboxylic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1.2; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 72.31Å2; (9)Index of Refraction: 1.554; (10)Molar Refractivity: 36.04 cm3; (11)Molar Volume: 112.4 cm3; (12)Polarizability: 14.28x10-24cm3; (13)Surface Tension: 61.1 dyne/cm; (14)Enthalpy of Vaporization: 68.75 kJ/mol; (15)Vapour Pressure: 3.76E-07 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(OC)nn1
(2)InChI: InChI=1/C6H6N2O3/c1-11-5-3-2-4(6(9)10)7-8-5/h2-3H,1H3,(H,9,10)
(3)InChIKey: SMBBNQVBFDIQMJ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H6N2O3/c1-11-5-3-2-4(6(9)10)7-8-5/h2-3H,1H3,(H,9,10)
(5)Std. InChIKey: SMBBNQVBFDIQMJ-UHFFFAOYSA-N