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5-Acetyl-2-methoxypyridine

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Name

5-Acetyl-2-methoxypyridine

EINECS N/A
CAS No. 213193-32-9 Density 1.094 g/cm3
PSA 39.19000 LogP 1.29280
Solubility N/A Melting Point 53-57 °C(lit.)
Formula C8H9NO2 Boiling Point 269.503 °C at 760 mmHg
Molecular Weight 151.165 Flash Point 116.791 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 213193-32-9 (5-ACETYL-2-METHOXYPYRIDINE, 97%) Hazard Symbols IrritantXi
Synonyms

1-(6-Methoxypyridin-3-yl)ethanone;2-Methoxy-5-acetylpyridine;3-Acetyl-6-methoxypyridine;

Article Data 16

5-Acetyl-2-methoxypyridine Specification

The Ethanone,1-(6-methoxy-3-pyridinyl)-, with the CAS registry number 213193-32-9, is also known as 3-Acetyl-6-methoxypyridine. It belongs to the product categories of Acetylgroup; Pyridine; C7 and C8; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C8H9NO2 and molecular weight is 151.16. What's more, its systematic name is 1-(6-methoxypyridin-3-yl)ethanone.

Physical properties of Ethanone,1-(6-methoxy-3-pyridinyl)- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 111; (8)ACD/KOC (pH 7.4): 111; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 41.051 cm3; (15)Molar Volume: 138.19 cm3; (16)Polarizability: 16.274×10-24cm3; (17)Surface Tension: 38.077 dyne/cm; (18)Density: 1.094 g/cm3; (19)Flash Point: 116.791 °C; (20)Enthalpy of Vaporization: 50.763 kJ/mol; (21)Boiling Point: 269.503 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cnc(OC)cc1)C
(2)Std. InChI: InChI=1S/C8H9NO2/c1-6(10)7-3-4-8(11-2)9-5-7/h3-5H,1-2H3
(3)Std. InChIKey: RYOQZXOVBJIUSX-UHFFFAOYSA-N 

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