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| CAS No.: | 160590-36-3 |
|---|---|
| Name: | 2-METHOXY-3-NITRO-4-PICOLINE |
| Molecular Structure: | |
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| Formula: | C7H8N2O3 |
| Molecular Weight: | 168.152 |
| Synonyms: | 2-Methoxy-4-methyl-3-nitropyridine; |
| Density: | 1.248 g/cm3 |
| Melting Point: | 38-40 °C |
| Boiling Point: | 270.28 °C at 760 mmHg |
| Flash Point: | 117.261 °C |
| PSA: | 67.94000 |
| LogP: | 1.83000 |
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- Total:38 Page 1 of 1 1
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Specification
The 2-Methoxy-3-nitro-4-methylpyridine, with the CAS registry number 160590-36-3, is also known as 2-Methoxy-4-methyl-3-nitropyridine. This chemical's molecular formula is C7H8N2O3 and molecular weight is 168.15. What's more, its systematic name is 2-Methoxy-4-methyl-3-nitropyridine.
Physical properties of 2-Methoxy-3-nitro-4-methylpyridine are: (1)ACD/LogP: 1.642; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.43; (6)ACD/BCF (pH 7.4): 10.43; (7)ACD/KOC (pH 5.5): 186.36; (8)ACD/KOC (pH 7.4): 186.36; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.94 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 42.393 cm3; (15)Molar Volume: 134.776 cm3; (16)Polarizability: 16.806×10-24cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 117.261 °C; (20)Enthalpy of Vaporization: 48.798 kJ/mol; (21)Boiling Point: 270.28 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccnc(c1N(=O)=O)OC
(2)Std. InChI: InChI=1S/C7H8N2O3/c1-5-3-4-8-7(12-2)6(5)9(10)11/h3-4H,1-2H3
(3)Std. InChIKey: BGHDKUHZYJCOQG-UHFFFAOYSA-N