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Name |
2(1H)-Quinolinone,3,4-dihydro-8-hydroxy- |
EINECS | N/A |
CAS No. | 52749-50-5 | Density | 1.282 g/cm3 |
PSA | 49.33000 | LogP | 1.41490 |
Solubility | N/A | Melting Point |
196 °C |
Formula | C9H9NO2 | Boiling Point | 381.9 °C at 760 mmHg |
Molecular Weight | 163.176 | Flash Point | 184.8 °C |
Transport Information | N/A | Appearance | light yellow crystal or powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
8-Hydroxy-2(1H)-3,4-dihydroquinolinone; |
Article Data | 1 |
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