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CAS No.: | 13788-72-2 |
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Name: | 4-HYDROXY-6-METHOXYQUINOLINE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H9NO2 |
Molecular Weight: | 175.184 |
Synonyms: | 4(1H)-Quinolone,6-methoxy- (8CI);6-Methoxy-4-quinolone;NSC 266150; |
Density: | 1.199g/cm3 |
Melting Point: | 251-252 °C |
Boiling Point: | 321.5 °C at 760 mmHg |
Flash Point: | 148.2 °C |
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The 4(1H)-Quinolinone,6-methoxy-, with CAS registry number 13788-72-2, has the systematic name of 6-methoxyquinolin-4(1H)-one. Besides this, it is also called 4-Hydroxy-6-methoxyquinoline. Its molecular weight is 175.184. And the chemical formula of this chemical is C10H9NO2.
Physical properties of 4(1H)-Quinolinone,6-methoxy-: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.67; (6)ACD/KOC (pH 7.4): 1.68; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 48.18 cm3; (13)Molar Volume: 146 cm3; (14)Polarizability: 19.1×10-24cm3; (15)Surface Tension: 42.1 dyne/cm; (16)Density: 1.199 g/cm3; (17)Flash Point: 148.2 °C; (18)Enthalpy of Vaporization: 56.33 kJ/mol; (19)Boiling Point: 321.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000296 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(ccc(OC)c1)N/C=C/2
(2)InChI: InChI=1/C10H9NO2/c1-13-7-2-3-9-8(6-7)10(12)4-5-11-9/h2-6H,1H3,(H,11,12)
(3)InChIKey: RVTLXJLNIDCHKT-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H9NO2/c1-13-7-2-3-9-8(6-7)10(12)4-5-11-9/h2-6H,1H3,(H,11,12)
(5)Std. InChIKey: RVTLXJLNIDCHKT-UHFFFAOYSA-N