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CAS No.: | 123506-66-1 |
---|---|
Name: | 5-FORMYL-2-METHOXY-4-PICOLINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H9NO2 |
Molecular Weight: | 151.165 |
Synonyms: | 6-Methoxy-4-methyl-pyridine-3-carbaldehyde; |
Density: | 1.123 g/cm3 |
Boiling Point: | 274.173 °C at 760 mmHg |
Flash Point: | 119.616 °C |
PSA: | 39.19000 |
LogP: | 1.21110 |
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The 3-Pyridinecarboxaldehyde, 6-methoxy-4-methyl-, with the CAS registry number of 123506-66-1, is also known as 5-Formyl-2-methoxy-4-picoline. It belongs to the product categories of Aldehyde; Pyridine. This chemical's molecular formula is C8H9NO2 and molecular weight is 151.16. What's more, its systematic name is called 6-Methoxy-4-methyl-pyridine-3-carbaldehyde.
Physical properties about 3-Pyridinecarboxaldehyde, 6-methoxy-4-methyl- are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.528; (4)ACD/LogD (pH 7.4): 1.528; (5)ACD/BCF (pH 5.5): 8.533; (6)ACD/BCF (pH 7.4): 8.538; (7)ACD/KOC (pH 5.5): 161.45; (8)ACD/KOC (pH 7.4): 161.54; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 42.6 cm3; (15)Molar Volume: 134.601 cm3; (16)Surface Tension: 41.094 dyne/cm; (17)Density: 1.123 g/cm3; (18)Flash Point: 119.616 °C; (19)Enthalpy of Vaporization: 51.255 kJ/mol; (20)Boiling Point: 274.173 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(ncc1C=O)OC
(2) InChI: InChI=1/C8H9NO2/c1-6-3-8(11-2)9-4-7(6)5-10/h3-5H,1-2H3
(3) InChIKey: DRPZNLLEUHICFW-UHFFFAOYAK