Ethanone,1-(1-oxido-3-pyridinyl)- supplier

Name
1-(1-Oxido-3-pyridinyl)-ethanone
EINECS
CAS No. 14188-94-4
Article Data21
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point 144.0 to 148.0 °C
Formula C₇H₇NO₂
Boiling Point 347.3 °C at 760 mmHg
Molecular Weight 137.138
Flash Point 163.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 42.53000
LogP 1.31770

Ethanone,1-(1-oxido-3-pyridinyl)- Specification

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

Product Name

1-(1-Oxido-3-pyridinyl)-ethanone

Ethanone,1-(1-oxido-3-pyridinyl)- Specification

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