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27463-91-8

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Basic Information
CAS No.: 27463-91-8
Name: 6(5H)-Quinolinone,7,8-dihydro-
Article Data: 5
Molecular Structure:
Molecular Structure of 27463-91-8 (6(5H)-Quinolinone,7,8-dihydro-)
Formula: C9H9NO
Molecular Weight: 147.177
Synonyms: 6(5H)-Quinolone,7,8-dihydro- (8CI);7,8-Dihydro-6(5H)-quinolinone;
Density: 1.168 g/cm3
Boiling Point: 287.894 °C at 760 mmHg
Flash Point: 135.558 °C
PSA: 29.96000
LogP: 1.13940
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Specification

The systematic name of 7,8-Dihydro-6(5H)-quinolinone is 7,8-dihydroquinolin-6(5H)-one. With the CAS registry number 27463-91-8, it is also named as 6(5H)-quinolinone,7,8-dihydro-. The product's category is Quinoline Derivertives. In addition, its molecular formula is C9H9NO and its molecular weight is 147.17. 

The other characteristics of 7,8-Dihydro-6(5H)-quinolinone can be summarized as: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28; (8)ACD/KOC (pH 7.4): 32; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 41.261 cm3; (15)Molar Volume: 125.984 cm3; (16)Polarizability: 16.357×10-24cm3; (17)Surface Tension: 48.994 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 135.558 °C; (20)Enthalpy of Vaporization: 52.71 kJ/mol; (21)Boiling Point: 287.894 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C1Cc2cccnc2CC1
(2)InChI:InChI=1/C9H9NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-2,5H,3-4,6H2
(3)InChIKey:YBUZBPXSUWAVOD-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C9H9NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-2,5H,3-4,6H2
(5)Std. InChIKey:YBUZBPXSUWAVOD-UHFFFAOYSA-N