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CAS No.: | 14188-94-4 |
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Name: | 1-(1-Oxido-3-pyridinyl)-ethanone |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C7H7NO2 |
Molecular Weight: | 137.138 |
Synonyms: | Ethanone,1-(3-pyridinyl)-, N-oxide;Ketone, methyl 3-pyridyl, 1-oxide (6CI);Ketone,methyl 3-pyridyl, N-oxide (8CI);1-(1-Oxopyridin-3-yl)ethanone;3-Acetylpyridine 1-oxide;3-Acetylpyridine N-oxide; |
Density: | 1.13 g/cm3 |
Melting Point: | 144.0 to 148.0 °C |
Boiling Point: | 347.3 °C at 760 mmHg |
Flash Point: | 163.8 °C |
PSA: | 42.53000 |
LogP: | 1.31770 |
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The Ethanone,1-(1-oxido-3-pyridinyl)-, with the CAS registry number 14188-94-4, is also known as 3-Acetylpyridine N-oxide. This chemical's molecular formula is C7H7NO2 and molecular weight is 137.136. What's more, its systematic name is called 1-(1-Oxidopyridin-3-yl)ethanone.
Physical properties about this chemical are: (1)ACD/LogP: -1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.75; (4)ACD/LogD (pH 7.4): -1.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.64; (8)ACD/KOC (pH 7.4): 2.64; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.18 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 37.72 cm3; (15)Molar Volume: 121 cm3; (16)Surface Tension: 41.8 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 163.8 °C; (19)Enthalpy of Vaporization: 59.15 kJ/mol; (20)Boiling Point: 347.3 °C at 760 mmHg; (21)Vapour Pressure: 5.44E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]1cccc(C(=O)C)c1
(2) InChI: InChI=1/C7H7NO2/c1-6(9)7-3-2-4-8(10)5-7/h2-5H,1H3
(3) InChIKey: AZFMFGIMDGBJRR-UHFFFAOYAP