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CAS No.: | 300590-94-7 |
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Name: | 4-HYDROXY-2-METHYLQUINOLINE-6-CARBOXYLIC ACID ETHYL ESTER |
Molecular Structure: | |
Formula: | C13H13NO3 |
Molecular Weight: | 231.251 |
Synonyms: | NSC 30291; |
Density: | 1.189 g/cm3 |
Melting Point: | 256 °C |
Boiling Point: | 383.7 °C at 760 mmHg |
Flash Point: | 185.8 °C |
PSA: | 59.42000 |
LogP: | 2.42550 |
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The 6-Quinolinecarboxylicacid, 4-hydroxy-2-methyl-, ethyl ester, with the CAS registry number 300590-94-7, is also known as Ethyl 4-hydroxy-2-methylquinoline-6-carboxylate. It belongs to the product categories of Heterocyclic Compounds; Quinoline. This chemical's molecular formula is C13H13NO3 and molecular weight is 231.25. Its systematic name is called ethyl 2-methyl-4-oxo-1,4-dihydroquinoline-6-carboxylate.
Physical properties of 6-Quinolinecarboxylicacid, 4-hydroxy-2-methyl-, ethyl ester: (1)ACD/LogP: 4.03; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.22; (7)ACD/KOC (pH 7.4): 6.22; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 62.61 cm3; (13)Molar Volume: 194.4 cm3; (14)Surface Tension: 41.5 dyne/cm; (15)Density: 1.189 g/cm3; (16)Flash Point: 185.8 °C; (17)Enthalpy of Vaporization: 63.22 kJ/mol; (18)Boiling Point: 383.7 °C at 760 mmHg; (19)Vapour Pressure: 4.32E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2ccc1c(C(=O)\C=C(/N1)C)c2
(2)InChI: InChI=1/C13H13NO3/c1-3-17-13(16)9-4-5-11-10(7-9)12(15)6-8(2)14-11/h4-7H,3H2,1-2H3,(H,14,15)
(3)InChIKey: ZBJWZYUUWDUKMK-UHFFFAOYAE