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| CAS No.: | 70416-53-4 |
|---|---|
| Name: | 5-Fornyl-3-pyridinecarbonitrile |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H4N2O |
| Molecular Weight: | 132.1195 |
| Synonyms: | 5-Formylpyridine-3-carbonitrile;5-Formylpyridine-3-carbonitrile;5-Formylnicotinonitrile; |
| Density: | 1.242 g/cm3 |
| Boiling Point: | 229.342 °C at 760 mmHg |
| Flash Point: | 92.503 °C |
| PSA: | 53.75000 |
| LogP: | 0.76578 |
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- Total:29 Page 1 of 1 1
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Specification
The 5-Fornyl-3-pyridinecarbonitrile with CAS registry number of 70416-53-4 is also called 5-Formylnicotinonitrile. The IUPAC name is 5-formylpyridine-3-carbonitrile. In addition, the formula is C7H4N2O and the molecular weight is 132.1195.
Physical properties about 5-Fornyl-3-pyridinecarbonitrile are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25; (8)ACD/KOC (pH 7.4): 25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.75 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 34.088 cm3; (15)Molar Volume: 106.401 cm3; (16)Polarizability: 13.513 ×10-24cm3; (17)Surface Tension: 59.695 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 92.503 °C; (20)Enthalpy of Vaporization: 46.595 kJ/mol; (21)Boiling Point: 229.342 °C at 760 mmHg; (22)Vapour Pressure: 0.07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(C=O)cnc1
(2)InChI: InChI=1/C7H4N2O/c8-2-6-1-7(5-10)4-9-3-6/h1,3-5H
(3)InChIKey: RWPAJIVRGSWZAB-UHFFFAOYAY