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CAS No.: | 15644-89-0 |
---|---|
Name: | 8-METHOXY-2-METHYLQUINOLIN-4-OL |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C11H11NO2 |
Molecular Weight: | 189.214 |
Synonyms: | 8-Methoxy-2-methyl-4-quinolinol;NSC 208722;8-Methoxy-2-methyl-4(1H)-quinolinone;8-Methoxy-2-methylquinolin-4-ol; |
Density: | 1.217 g/cm3 |
Boiling Point: | 352.634 °C at 760 mmHg |
Flash Point: | 167.067 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 42.35000 |
LogP: | 2.25740 |
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The 4-Hydroxy-8-methoxy-2-methylquinoline, with the CAS registry number 15644-89-0, is also known as 8-Methoxy-2-methylquinolin-4-ol. This chemical's molecular formula is C11H11NO2 and molecular weight is 189.21. What's more, its systematic name is 8-Methoxy-2-methyl-4(1H)-quinolinone.
Physical properties of 4-Hydroxy-8-methoxy-2-methylquinoline are: (1)ACD/LogP: 1.396; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.40; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.17; (8)ACD/KOC (pH 7.4): 2.26; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.35 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 55.572 cm3; (15)Molar Volume: 155.48 cm3; (16)Polarizability: 22.03×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.217 g/cm3; (19)Flash Point: 167.067 °C; (20)Enthalpy of Vaporization: 62.105 kJ/mol; (21)Boiling Point: 352.634 °C at 760 mmHg; (22)Vapour Pressure: 0 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)C
(2)Std. InChI: InChI=1S/C11H11NO2/c1-7-6-9(13)8-4-3-5-10(14-2)11(8)12-7/h3-6H,1-2H3,(H,12,13)
(3)Std. InChIKey: DJYYBMQABYVSBR-UHFFFAOYSA-N