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CAS No.: | 181048-49-7 |
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Name: | 2-(2-METHOXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C17H13NO3 |
Molecular Weight: | 279.29 |
Synonyms: | 2-(2-Methoxyphenyl)-4-quinolinecarboxylicacid; |
Density: | 1.277 g/cm3 |
Melting Point: | 218.6-222.0 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 451.8 °C at 760 mmHg |
Flash Point: | 227 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 59.42000 |
LogP: | 3.60860 |
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The CAS registry number of 4-Quinolinecarboxylicacid, 2-(2-methoxyphenyl)- is 181048-49-7. This chemical's molecular formula is C17H13NO3 and molecular weight is 279.29. What's more, its IUPAC name is 2-(2-Methoxyphenyl)quinoline-4-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 4-Quinolinecarboxylicacid, 2-(2-methoxyphenyl)- are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.99; (8)ACD/KOC (pH 7.4): 1.69; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.42 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 80.38 cm3; (15)Molar Volume: 218.5 cm3; (16)Polarizability: 31.86×10-24 cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.277 g/cm3; (19)Flash Point: 227 °C; (20)Enthalpy of Vaporization: 74.91 kJ/mol; (21)Boiling Point: 451.8 °C at 760 mmHg; (22)Vapour Pressure: 5.99E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c3ccccc3nc(c1)c2ccccc2OC
(2) InChI: InChI=1/C17H13NO3/c1-21-16-9-5-3-7-12(16)15-10-13(17(19)20)11-6-2-4-8-14(11)18-15/h2-10H,1H3,(H,19,20)
(3) InChIKey: FESGWXLVLIYOOB-UHFFFAOYAP