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CAS No.: | 470702-34-2 |
---|---|
Name: | 7-METHOXY-2-METHYLQUINOLINE-3-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C12H11NO3 |
Molecular Weight: | 217.224 |
Synonyms: | 7-Methoxy-2-methylquinoline-3-carboxylic acid; |
Density: | 1.28 g/cm3 |
Boiling Point: | 379.8 °C at 760 mmHg |
Flash Point: | 183.5 °C |
Hazard Symbols: | Xi |
PSA: | 59.42000 |
LogP: | 2.25000 |
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The CAS registry number of 3-Quinolinecarboxylicacid, 7-methoxy-2-methyl is 470702-34-2. This chemical's molecular formula is C12H11NO3 and molecular weight is 217.22. What's more, its systematic name is called 7-Methoxy-2-methylquinoline-3-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 3-Quinolinecarboxylicacid, 7-methoxy-2-methyl- are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.96; (8)ACD/KOC (pH 7.4): 1.18; (9)#H bond acceptors: 4 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.42 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 60.62 cm3; (15)Molar Volume: 169.5 cm3; (16)Surface Tension: 54.9 dyne/cm; (17)Density: 1.28 g/cm3; (18)Flash Point: 183.5 °C; (19)Enthalpy of Vaporization: 66.23 kJ/mol; (20)Boiling Point: 379.8 °C at 760 mmHg; (21)Vapour Pressure: 1.91E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc2ccc(OC)cc2nc1C
(2) InChI: InChI=1/C12H11NO3/c1-7-10(12(14)15)5-8-3-4-9(16-2)6-11(8)13-7/h3-6H,1-2H3,(H,14,15)
(3) InChIKey: XBQMSEMHUXMTQF-UHFFFAOYAP