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| CAS No.: | 688782-00-5 |
|---|---|
| Name: | 1H-Pyrrolo[2,3-b]pyridine, 3-methyl-, 7-oxide (9CI) |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H8N2O |
| Molecular Weight: | 148.16200 |
| Synonyms: | 1H-Pyrrolo[2,3-b]pyridine, 3-methyl-, 7-oxide;1H-Pyrrolo[2,3-b]pyridine, 3-methyl-, 7-oxide (9CI); |
| Density: | 1.27g/cm3 |
| Boiling Point: | 351.3 °C at 760 mmHg |
| Flash Point: | 166.3 °C |
| PSA: | 41.25000 |
| LogP: | 1.90480 |
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- Total:21 Page 1 of 1 1
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Specification
The 3-Methyl-1H-pyrrolo[2,3-b]pyridine 7-oxide with cas registry number of 688782-00-5, belongs to the following product categories: (1)alcohol; (2)pyridine. And it has the systematic name of 3-methyl-7-oxido-1H-pyrrolo[2,3-b]pyridin-7-ium.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 0; (5)Polar Surface Area: 41.25 Å2; (6)Index of Refraction: 1.643; (7)Molar Refractivity: 41.98 cm3; (8)Molar Volume: 116 cm3; (9)Polarizability: 16.64×10-24cm3; (10)Surface Tension: 48 dyne/cm; (11)Enthalpy of Vaporization: 57.25 kJ/mol; (12)Vapour Pressure: 8.38E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c[nH]c2c1ccc[n+]2[O-];
(2)InChI: InChI=1/C8H8N2O/c1-6-5-9-8-7(6)3-2-4-10(8)11/h2-5,9H,1H3;
(3)InChIKey: KGBCWYHKHRVKKO-UHFFFAOYAU;
(4)Std. InChI: InChI=1S/C8H8N2O/c1-6-5-9-8-7(6)3-2-4-10(8)11/h2-5,9H,1H3;
(5)Std. InChIKey: KGBCWYHKHRVKKO-UHFFFAOYSA-N