CAS No.77156-75-3,4-HYDROXY-8-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER Suppliers

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Molecular Structure:
CAS No.:	77156-75-3
Name:	4-HYDROXY-8-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
Article Data:	14

Formula:	C₁₃H₁₃NO₃
Molecular Weight:	231.251
Synonyms:	4-Hydroxy-8-methylquinoline-3-carboxylic ethyl ester;ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate;3-quinolinecarboxylic acid, 4-hydroxy-8-methyl-, ethyl ester;3-quinolinecarboxylic acid, 1,4-dihydro-8-methyl-4-oxo-, ethyl ester;Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate;4-Hydroxy-8-methylquinoline-3-carboxylic acid ethyl ester;ethyl 4-hydroxy-8-methyl-3-quinolinecarboxylate;
Density:	1.214 g/cm³
Melting Point:	271-274 °C (dec)
Boiling Point:	362.6 °C at 760 mmHg
Flash Point:	173.1 °C
PSA:	59.42000
LogP:	2.42550

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Specification

The ethyl 4-hydroxy-8-methylquinoline-3-carboxylate, with the CAS registry number 77156-75-3, has the systematic name of ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate. It belongs to the product categories of Quinoline & Isoquinoline. And the molecular formula of the chemical is C₁₃H₁₃NO₃.

The characteristics of ethyl 4-hydroxy-8-methylquinoline-3-carboxylate are as followings: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 5.68; (6)ACD/BCF (pH 7.4): 5.58; (7)ACD/KOC (pH 5.5): 26.51; (8)ACD/KOC (pH 7.4): 26.07; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 61.91 cm³; (15)Molar Volume: 190.4 cm³; (16)Polarizability: 24.54×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 173.1 °C; (20)Enthalpy of Vaporization: 60.85 kJ/mol; (21)Boiling Point: 362.6 °C at 760 mmHg; (22)Vapour Pressure: 1.92E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C\2c1c(c(ccc1)C)N/C=C/2C(=O)OCC
(2)InChI: InChI=1/C13H13NO3/c1-3-17-13(16)10-7-14-11-8(2)5-4-6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15)
(3)InChIKey: HYUYDOCMASKUMM-UHFFFAOYAJ