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Basic Information
CAS No.: 53400-41-2
Name: 5,6,7,8-TETRAHYDROQUINOLINONE-5
Article Data: 6
Molecular Structure:
Molecular Structure of 53400-41-2 (5,6,7,8-TETRAHYDROQUINOLINONE-5)
Formula: C9H9NO
Molecular Weight: 147.177
Synonyms: 5(6H)-Quinolone,7,8-dihydro- (6CI,7CI);5,6,7,8-Tetrahydro-5-quinolinone;7,8-Dihydro-5(6H)-quinolinone;7,8-Dihydro-6H-quinolin-5-one;
Density: 1.168 g/cm3
Boiling Point: 269.3 °C at 760 mmHg
Flash Point: 123.8 °C
PSA: 29.96000
LogP: 1.60060
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  • 5(6H)-Quinolinone, 7,8-dihydro-

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Specification

The 5,6,7,8-Tetrahydro-5-quinolinone, with the CAS register number 53400-41-2, has the IUPAC name 7,8-dihydroquinolin-5(6H)-one. Its molecular formula is C9H9NO and its molecular weight is 147.1739. Additionally, it's also named as 5(6H)-Quinolinone, 7,8-dihydro-.

Physical properties about 5,6,7,8-Tetrahydro-5-quinolinone are: (1)ACD/LogP: 1.42; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): 1.42; (4)ACD/BCF (pH 5.5): 6.88; (5)ACD/BCF (pH 7.4): 7.03; (6)ACD/KOC (pH 5.5): 137.48; (7)ACD/KOC (pH 7.4): 140.5; (8)#H bond acceptors: 2; (9)Polar Surface Area: 29.96 Å2; (10)Index of Refraction: 1.568; (11)Molar Refractivity: 41.26 cm3; (12)Molar Volume: 125.9 cm3; (13)Polarizability: 16.35x10-24cm3; (14)Surface Tension: 48.9 dyne/cm; (15)Enthalpy of Vaporization: 50.74 kJ/mol; (16)Vapour Pressure: 0.00731 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2c1cccnc1CCC2
2.InChI: InChI=1/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2-3,6H,1,4-5H2
3.InChIKey: YHHBKPWMEXGLKE-UHFFFAOYAN