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CAS No.: | 28027-18-1 |
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Name: | 4-Hydroxy-8-methoxy-3-quinolinecarboxylic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H9NO4 |
Molecular Weight: | 219.1935 |
Synonyms: | NSC 80676;8-Methoxy-4-oxo-1H-quinoline-3-carboxylic acid; |
EINECS: | 821-657-7 |
Density: | 1.402 g/cm3 |
Melting Point: | 280 °C (decomp) |
Boiling Point: | 407.1 °C at 760 mmHg |
Flash Point: | 200 °C |
PSA: | 79.65000 |
LogP: | 1.64720 |
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The 3-Quinolinecarboxylicacid, 4-hydroxy-8-methoxy-, with the CAS registry number 28027-18-1, is also known as 8-Methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. This chemical's molecular formula is C11H9NO4 and molecular weight is 219.1935. What's more, its IUPAC name is called 8-Methoxy-4-oxo-1H-quinoline-3-carboxylic acid.
Physical properties about 3-Quinolinecarboxylicacid, 4-hydroxy-8-methoxy- are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.02; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 54.29 cm3; (14)Molar Volume: 156.3 cm3; (15)Surface Tension: 57.6 dyne/cm; (16)Density: 1.402 g/cm3; (17)Flash Point: 200 °C; (18)Enthalpy of Vaporization: 69.48 kJ/mol; (19)Boiling Point: 407.1 °C at 760 mmHg; (20)Vapour Pressure: 2.34E-07 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/2C(=O)O
(2) InChI: InChI=1/C11H9NO4/c1-16-8-4-2-3-6-9(8)12-5-7(10(6)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
(3) InChIKey: CDGYPATWKVOBIY-UHFFFAOYAW