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| CAS No.: | 75358-90-6 |
|---|---|
| Name: | Ethyl 2-cyanopyridine-3-carboxylate |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C9H8N2O2 |
| Molecular Weight: | 176.17 |
| Synonyms: | Ethyl 2-cyanonicotinate; |
| Density: | 1.21 g/cm3 |
| Melting Point: | 35-40°C |
| Boiling Point: | 327.9 °C at 760 mmHg |
| Flash Point: | 152.1 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 36/37/39 |
| PSA: | 62.98000 |
| LogP: | 1.12998 |
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Specification
The Ethyl 2-cyanopyridine-3-carboxylate, with the CAS registry number 75358-90-6, is also known as Ethyl 2-cyanonicotinate. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.17. What's more, its systematic name is Ethyl 2-cyanopyridine-3-carboxylate.
Physical properties about Ethyl 2-cyanopyridine-3-carboxylate are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.21; (6)ACD/BCF (pH 7.4): 3.21; (7)ACD/KOC (pH 5.5): 80.17; (8)ACD/KOC (pH 7.4): 80.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 62.98 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 44.86 cm3; (15)Molar Volume: 145.5 cm3; (16)Polarizability: 17.78×10-24 cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 152.1 °C; (20)Enthalpy of Vaporization: 57.02 kJ/mol; (21)Boiling Point: 327.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000196 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ncccc1C(=O)OCC
(2) InChI: InChI=1/C9H8N2O2/c1-2-13-9(12)7-4-3-5-11-8(7)6-10/h3-5H,2H2,1H3
(3) InChIKey: KOAWFXMHARNHJY-UHFFFAOYAO