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| CAS No.: | 100047-66-3 |
|---|---|
| Name: | 3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI) |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H5N2O3 |
| Molecular Weight: | 154.125 |
| Synonyms: | 1-methyl-6-oxopyridazine-3-carboxylate; |
| Density: | 1.44g/cm3 |
| Melting Point: | 239 °C(Solv: water (7732-18-5)) |
| Boiling Point: | 316.5 °C at 760 mmHg |
| Flash Point: | 145.2 °C |
| PSA: | 72.19000 |
| LogP: | -0.52150 |
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Specification
The CAS registry number of 1-Methyl-6-oxo-pyridazine-3-carboxylate is 100047-66-3. This chemical's molecular formula is C6H5N2O3 and molecular weight is 153.116. What's more, its systematic name is called 1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate.
Physical properties about 1-Methyl-6-oxo-pyridazine-3-carboxylate are: (1)ACD/LogP: -1.52; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 69.97 Å2; (7)Flash Point: 145.2 °C; (8)Enthalpy of Vaporization: 61.34 kJ/mol; (9)Boiling Point: 316.5 °C at 760 mmHg; (10)Vapour Pressure: 8.73E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C\C(=N/N1C)\C([O-])=O
(2) InChI: InChI=1/C6H6N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H,1H3,(H,10,11)/p-1
(3) InChIKey: VSWNRKPYWTWWBV-REWHXWOFAY