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| CAS No.: | 21269-34-1 |
|---|---|
| Name: | 4-Hydroxy-8-methoxyquinoline |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C10H9NO2 |
| Molecular Weight: | 175.187 |
| Synonyms: | 4-Hydroxy-8-methoxyquinoline;8-Methoxy-4-quinolinol;NSC 52752; |
| EINECS: | -0 |
| Density: | 1.199g/cm3 |
| Melting Point: | 168-169 °C |
| Boiling Point: | 317.6 °C at 760 mmHg |
| Flash Point: | 145.9 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 42.35000 |
| LogP: | 1.94900 |
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Specification
The 4-Hydroxy-8-methoxyquinoline, with CAS registry number 21269-34-1, has the systematic name of 8-methoxyquinolin-4(1H)-one. Besides this, it is also called 4-Hydroxy-8-methoxyquinoline. Its molecular weight is 175.184. And the chemical formula of this chemical is C10H9NO2.
Physical properties of 4-Hydroxy-8-methoxyquinoline: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 1.65; (6)ACD/BCF (pH 7.4): 1.68; (7)ACD/KOC (pH 5.5): 22.37; (8)ACD/KOC (pH 7.4): 22.76; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 48.18 cm3; (15)Molar Volume: 146 cm3; (16)Polarizability: 19.1×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.199 g/cm3; (19)Flash Point: 145.9 °C; (20)Enthalpy of Vaporization: 55.9 kJ/mol; (21)Boiling Point: 317.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000382 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(c(OC)ccc1)N/C=C/2
(2)InChI: InChI=1/C10H9NO2/c1-13-9-4-2-3-7-8(12)5-6-11-10(7)9/h2-6H,1H3,(H,11,12)
(3)InChIKey: DJVLMLGPDKKYJW-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H9NO2/c1-13-9-4-2-3-7-8(12)5-6-11-10(7)9/h2-6H,1H3,(H,11,12)
(5)Std. InChIKey: DJVLMLGPDKKYJW-UHFFFAOYSA-N