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| CAS No.: | 1849-53-2 |
|---|---|
| Name: | 3-METHOXY-PYRIDINE-2-CARBALDEHYDE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C7H7NO2 |
| Molecular Weight: | 137.138 |
| Synonyms: | Picolinaldehyde,3-methoxy- (6CI,7CI,8CI);3-Methoxy-2-picolinaldehyde;3-Methoxypicolinaldehyde; |
| Density: | 1.159 g/cm3 |
| Melting Point: | 67-68 °C |
| Boiling Point: | 239.371 °C at 760 mmHg |
| Flash Point: | 98.568 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| PSA: | 39.19000 |
| LogP: | 0.90270 |
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Specification
The 3-Methoxypyridine-2-carboxaldehyde is an organic compound with the formula C7H7NO2. The IUPAC name of this chemical is 3-methoxypyridine-2-carbaldehyde. With the CAS registry number 1849-53-2, it is also named as 3-Methoxy-pyridinecarboxaldehyde. The product's categories are Aldehydes; Pyridines.
Physical properties about 3-Methoxypyridine-2-carboxaldehyde are: (1)ACD/LogP: 0.95; (2)ACD/LogD (pH 5.5): 0.94; (3)ACD/LogD (pH 7.4): 0.95; (4)ACD/BCF (pH 5.5): 3.07; (5)ACD/BCF (pH 7.4): 3.09; (6)ACD/KOC (pH 5.5): 77.54; (7)ACD/KOC (pH 7.4): 78; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.19 Å2; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 37.77 cm3; (13)Molar Volume: 118.3 cm3; (14)Polarizability: 14.97×10-24cm3; (15)Surface Tension: 43 dyne/cm; (16)Density: 1.159 g/cm3; (17)Flash Point: 98.6 °C; (18)Enthalpy of Vaporization: 47.63 kJ/mol; (19)Boiling Point: 239.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0403 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ncccc1OC
(2)InChI: InChI=1/C7H7NO2/c1-10-7-3-2-4-8-6(7)5-9/h2-5H,1H3
(3)InChIKey: GHKILJGWQPBQGL-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H7NO2/c1-10-7-3-2-4-8-6(7)5-9/h2-5H,1H3
(5)Std. InChIKey: GHKILJGWQPBQGL-UHFFFAOYSA-N