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| CAS No.: | 106331-68-4 |
|---|---|
| Name: | 5,6-Dimethoxypicolinaldehyde |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H9NO3 |
| Molecular Weight: | 167.162 |
| Synonyms: | 5,6-Dimethoxypicolinaldehyde |
| Density: | 1.174 g/cm3 |
| Boiling Point: | 257.7 °C at 760 mmHg |
| Flash Point: | 109.7 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-41-43 |
| Safety: | 26-36/37 |
| PSA: | 48.42000 |
| LogP: | 0.91130 |
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Specification
The 2-Pyridinecarboxaldehyde, 5,6-dimethoxy- is an organic compound with the formula C8H9NO3. The systematic name of this chemical is 5,6-Dimethoxypyridine-2-carbaldehyde. With the CAS registry number 106331-68-4, it is also named as 5,6-Dimethoxypicolinaldehyde. Besides, its molecular weight is 167.162.
The physical properties of 2-Pyridinecarboxaldehyde, 5,6-dimethoxy- are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): 1.53; (3)ACD/LogD (pH 7.4): 1.53; (4)ACD/BCF (pH 5.5): 8.5; (5)ACD/BCF (pH 7.4): 8.5; (6)ACD/KOC (pH 5.5): 161.06; (7)ACD/KOC (pH 7.4): 161.07; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 48.42 Å2; (11)Index of Refraction: 1.537; (12)Molar Refractivity: 44.45 cm3; (13)Molar Volume: 142.3 cm3; (14)Polarizability: 17.62×10-24 cm3; (15)Surface Tension: 40.8 dyne/cm; (16)Density: 1.174 g/cm3; (17)Flash Point: 109.7 °C; (18)Enthalpy of Vaporization: 49.53 kJ/mol; (19)Boiling Point: 257.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0143 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1nc(ccc1OC)C=O
(2)InChI: InChI=1/C8H9NO3/c1-11-7-4-3-6(5-10)9-8(7)12-2/h3-5H,1-2H3
(3)InChIKey: FIRAPCOCRVQDEQ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-10)9-8(7)12-2/h3-5H,1-2H3
(5)Std. InChIKey: FIRAPCOCRVQDEQ-UHFFFAOYSA-N