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CAS No.: | 1758-54-9 |
---|---|
Name: | 1-PYRIDIN-2-YLETHAN-1-ONE OXIME |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C7H8N2O |
Molecular Weight: | 136.153 |
Synonyms: | (2Z)-2-(1-Nitrosoethylidene)-1, 2-dihydropyridine; |
Density: | 1.11 g/cm3 |
Melting Point: | 117 °C |
Boiling Point: | 209.4 °C at 760 mmHg |
Flash Point: | 80.5 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 45.48000 |
LogP: | 1.27980 |
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The IUPAC name of this product is (2Z)-2-(1-Nitrosoethylidene)-1H-pyridine, with the CAS registry number of 1758-54-9. It is also known as (2Z)-2-(1-Nitrosoethylidene)-1, 2-dihydropyridine. This chemical's molecular formula is C7H8N2O and molecular weight is 136.1512.
Physical properties about (2Z)-2-(1-Nitrosoethylidene)-1H-pyridine are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.31; (6)ACD/BCF (pH 7.4): 3.31; (7)ACD/KOC (pH 5.5): 81.93; (8)ACD/KOC (pH 7.4): 81.93; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 39.02 cm3; (15)Molar Volume: 122.3 cm3; (16)Polarizability: 15.47×10-24 cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 80.5 °C; (20)Enthalpy of Vaporization: 44.57 kJ/mol; (21)Boiling Point: 209.4 °C at 760 mmHg; (22)Vapour Pressure: 0.203 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=N\C(=C1\C=C/C=C\N1)C
(2) InChI: InChI=1/C7H8N2O/c1-6(9-10)7-4-2-3-5-8-7/h2-5,8H,1H3/b7-6-
(3) InChIKey: KWYHBFKEFFMBHW-SREVYHEPBN