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| CAS No.: | 321533-62-4 |
|---|---|
| Name: | Methyl 6-(1H-pyrazol-1-yl)pyridine-3-carboxylate |
| Molecular Structure: | |
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| Formula: | C10H9 N3 O2 |
| Molecular Weight: | 203.2 |
| Synonyms: | Methyl6-(pyrazol-1-yl)pyridine-3-carboxylate; |
| Density: | 1.27 g/cm48 |
| Boiling Point: | 330.8 °C at 760 mmHg |
| Flash Point: | 153.8 °C |
| PSA: | 57.01000 |
| LogP: | 1.05390 |
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Specification
The Methyl 6-(1H-pyrazol-1-yl)pyridine-3-carboxylate with the CAS number 321533-62-4 is also called 3-Pyridinecarboxylicacid, 6-(1H-pyrazol-1-yl)-, methyl ester. Its molecular formula is C10H9N3O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 57.01 Å2; (7)Index of Refraction: 1.613; (8)Molar Refractivity: 55.65 cm3; (9)Molar Volume: 159.6 cm3; (10)Polarizability: 22.06×10-24cm3; (11)Surface Tension: 48.6 dyne/cm; (12)Enthalpy of Vaporization: 57.34 kJ/mol; (13)Vapour Pressure: 0.000163 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cnc(cc1)n2nccc2
(2)InChI: InChI=1/C10H9N3O2/c1-15-10(14)8-3-4-9(11-7-8)13-6-2-5-12-13/h2-7H,1H3
(3)InChIKey: ZNCLEEDBRQOXRG-UHFFFAOYAB