The 2,3-Dihydro-1H-quinolin-4-one with the cas number 4295-36-7 is also called 4(1H)-Quinolinone, 2,3-dihydro-. The systematic name is 2,3-dihydroquinolin-4(1H)-one. The molecular formula of this chemical is C9H9NO. Its product category is pharmacetical.
The properties of the chemical are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 36.15; (6)ACD/BCF (pH 7.4): 36.21; (7)ACD/KOC (pH 5.5): 453.69; (8)ACD/KOC (pH 7.4): 454.37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 41.9 cm3; (15)Molar Volume: 128.7 cm3; (16)Polarizability: 16.61×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 54.11 kJ/mol ; (19)Vapour Pressure: 0.00108 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cccc1)NCC2
(2)InChI: InChI=1/C9H9NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-4,10H,5-6H2
(3)InChIKey: BUWPZNOVIHAWHW-UHFFFAOYAQ
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