CAS No.52749-50-5,8-HYDROXY-3,4-DIHYDRO-2-QUINOLINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52749-50-5
Name:	8-HYDROXY-3,4-DIHYDRO-2-QUINOLINONE
Article Data:	1

Formula:	C₉H₉NO₂
Molecular Weight:	163.176
Synonyms:	8-Hydroxy-2(1H)-3,4-dihydroquinolinone;
Density:	1.282 g/cm³
Melting Point:	196 °C
Boiling Point:	381.9 °C at 760 mmHg
Flash Point:	184.8 °C
Appearance:	light yellow crystal or powder
PSA:	49.33000
LogP:	1.41490

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Specification

The 2(1H)-Quinolinone,3,4-dihydro-8-hydroxy-, with the CAS registry number 52749-50-5, is also known as 8-Hydroxy-2(1H)-3,4-dihydroquinolinone. This chemical's molecular formula is C₉H₉NO₂ and molecular weight is 163.1733. What's more, its IUPAC name is called 8-Hydroxy-3,4-dihydro-1H-quinolin-2-one.

Physical properties about 2(1H)-Quinolinone,3,4-dihydro-8-hydroxy- are: (1)ACD/LogP: 0.98; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.25; (6)ACD/BCF (pH 7.4): 3.22; (7)ACD/KOC (pH 5.5): 80.95; (8)ACD/KOC (pH 7.4): 80.09; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 43.78 cm³; (15)Molar Volume: 127.2 cm³; (16)Surface Tension: 51.7 dyne/cm; (17)Density: 1.282 g/cm³; (18)Flash Point: 184.8 °C; (19)Enthalpy of Vaporization: 65.49 kJ/mol; (20)Boiling Point: 381.9 °C at 760 mmHg; (21)Vapour Pressure: 2.23E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2Nc1c(O)cccc1CC2
(2) InChI: InChI=1/C9H9NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-3,11H,4-5H2,(H,10,12)
(3) InChIKey: UDKMDIKMJWOSJP-UHFFFAOYAA