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| CAS No.: | 20857-21-0 |
|---|---|
| Name: | 2-Pyridinecarboxaldehyde, 6-acetyl- (9CI) |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H7NO2 |
| Molecular Weight: | 149.149 |
| Synonyms: | Picolinaldehyde,6-acetyl- (8CI); |
| Density: | 1.185 g/cm3 |
| Boiling Point: | 264.5 °C at 760 mmHg |
| Flash Point: | 117.7 °C |
| PSA: | 47.03000 |
| LogP: | 1.09670 |
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Specification
The 2-Pyridinecarboxaldehyde,6-acetyl-, with the CAS registry number 20857-21-0, is also known as 2-Acetyl-6-formylpyridine. It belongs to the product categories of Aldehyde; Acetylgroup. This chemical's molecular formula is C8H7NO2 and molecular weight is 149.14668. What's more, its systematic name is called 6-Acetylpyridine-2-carbaldehyde.
Physical properties about 2-Pyridinecarboxaldehyde,6-acetyl- are: (1) ACD/LogP: 0.86; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.86; (4) ACD/LogD (pH 7.4): 0.86; (5) ACD/BCF (pH 5.5): 2.66; (6) ACD/BCF (pH 7.4): 2.66; (7) ACD/KOC (pH 5.5): 70.05; (8) ACD/KOC (pH 7.4): 70.05; (9)#H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 47.03 Å2; (13) Index of Refraction: 1.567; (14) Molar Refractivity: 41.12 cm3; (15) Molar Volume: 125.8 cm3; (16) Surface Tension: 48.2 dyne/cm; (17) Density: 1.185 g/cm3; (18) Flash Point: 117.7 °C; (19) Enthalpy of Vaporization: 50.24 kJ/mol; (20) Boiling Point: 264.5 °C at 760 mmHg; (21) Vapour Pressure: 0.00968 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)c1cccc(C=O)n1
(2) InChI: InChI=1/C8H7NO2/c1-6(11)8-4-2-3-7(5-10)9-8/h2-5H,1H3
(3) InChIKey: VBDAIIKYGFAYGD-UHFFFAOYAU