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CAS No.: | 56234-20-9 |
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Name: | 8-acetylquinoline |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C11H9NO |
Molecular Weight: | 171.199 |
Synonyms: | 1-Quinolin-8-ylethanone;8-Acetylquinoline;1-(quinolin-8-yl)ethanone;ethanone, 1-(8-quinolinyl)-; |
Density: | 1.154 g/cm3 |
Melting Point: | 42-43.5 °C |
Boiling Point: | 315.207 °C at 760 mmHg |
Flash Point: | 152.423 °C |
PSA: | 29.96000 |
LogP: | 2.43740 |
The Ethanone,1-(8-quinolinyl)-, with the CAS registry number 56234-20-9, has the systematic name of 1-(quinolin-8-yl)ethanone. It is also called 8-Acetylquinoline, and belongs to the product category of Quinoline. And the molecular formula of the chemical is C11H9NO.
The characteristics of Ethanone,1-(8-quinolinyl)- are as followings: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 161; (8)ACD/KOC (pH 7.4): 162; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 52.215 cm3; (15)Molar Volume: 148.303 cm3; (16)Polarizability: 20.699×10-24cm3; (17)Surface Tension: 48.04 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 152.423 °C; (20)Enthalpy of Vaporization: 55.643 kJ/mol; (21)Boiling Point: 315.207 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(=O)c1cccc2cccnc12
(2)InChI: InChI=1/C11H9NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h2-7H,1H3
(3)InChIKey: SHVCKCOMBWIPBE-UHFFFAOYAK