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CAS No.: | 5342-23-4 |
---|---|
Name: | 6-METHOXY-4-METHYL-QUINOLIN-2-OL |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C11H11NO2 |
Molecular Weight: | 189.214 |
Synonyms: | Carbostyril,6-methoxy-4-methyl- (6CI,7CI,8CI);4-Methyl-6-methoxy-2-quinolone;4-Methyl-6-methoxycarbostyril;4-Methyl-6-methoxyquinolin-2(1H)-one;NSC 2195; |
Density: | 1.153g/cm3 |
Boiling Point: | 391.6 °C at 760 mmHg |
Flash Point: | 190.7 °C |
Hazard Symbols: | Xi |
PSA: | 42.35000 |
LogP: | 2.25740 |
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The 2(1H)-Quinolinone,6-methoxy-4-methyl-, with CAS registry number 5342-23-4, has the systematic name of 6-methoxy-4-methylquinolin-2(1H)-one. Besides this, it is also called 2-quinolinol, 6-methoxy-4-methyl-. And the chemical formula of this chemical is C11H11NO2.
Physical properties of 2(1H)-Quinolinone,6-methoxy-4-methyl-: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 41.97; (6)ACD/BCF (pH 7.4): 41.98; (7)ACD/KOC (pH 5.5): 490.34; (8)ACD/KOC (pH 7.4): 490.53; (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: 1.557; (14)Molar Refractivity: 52.89 cm3; (15)Molar Volume: 164 cm3; (16)Polarizability: 20.96×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.153 g/cm3; (19)Flash Point: 190.7 °C; (20)Enthalpy of Vaporization: 64.13 kJ/mol; (21)Boiling Point: 391.6 °C at 760 mmHg; (22)Vapour Pressure: 2.43E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/C=C(\c1c(ccc(OC)c1)N2)C
(2)InChI: InChI=1/C11H11NO2/c1-7-5-11(13)12-10-4-3-8(14-2)6-9(7)10/h3-6H,1-2H3,(H,12,13)
(3)InChIKey: VGQWDNJRHAWUNX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H11NO2/c1-7-5-11(13)12-10-4-3-8(14-2)6-9(7)10/h3-6H,1-2H3,(H,12,13)
(5)Std. InChIKey: VGQWDNJRHAWUNX-UHFFFAOYSA-N