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4-Quinolinecarboxylicacid, 2-methyl-, ethyl ester (7120-26-5)

Identification
Name:4-Quinolinecarboxylicacid, 2-methyl-, ethyl ester
Synonyms:Cinchoninicacid, 2-methyl-, ethyl ester (7CI,8CI);4-Carbethoxy-2-methylquinoline;Ethyl2-methylcinchoninate;
CAS:7120-26-5
Molecular Formula: C13H13NO2
Molecular Weight: 215.25
InChI: InChI=1/C13H13NO2/c1-3-16-13(15)11-8-9(2)14-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3
Molecular Structure: (C13H13NO2) Cinchoninicacid, 2-methyl-, ethyl ester (7CI,8CI);4-Carbethoxy-2-methylquinoline;Ethyl2-methylcincho...
Properties
Density:1.148
Refractive index:1.591
Specification:

The Ethyl 2-methylquinoline-4-carboxylate with cas registry number of 7120-26-5, has the systematic name of ethyl 2-methylquinoline-4-carboxylate. And it is also named 4-quinolinecarboxylic acid, 2-methyl-, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 121.16; (6)ACD/BCF (pH 7.4): 123.09; (7)ACD/KOC (pH 5.5): 1073.75; (8)ACD/KOC (pH 7.4): 1090.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 63.41 cm3; (15)Molar Volume: 187.4 cm3; (16)Polarizability: 25.14×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Enthalpy of Vaporization: 57.17 kJ/mol; (19)Vapour Pressure: 0.000179 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OCC)c1c2ccccc2nc(c1)C;
(2)InChI: InChI=1/C13H13NO2/c1-3-16-13(15)11-8-9(2)14-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3;
(3)InChIKey: QLDHESIQYKWVIL-UHFFFAOYAW;
(4)Std. InChI: InChI=1S/C13H13NO2/c1-3-16-13(15)11-8-9(2)14-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3;
(5)Std. InChIKey: QLDHESIQYKWVIL-UHFFFAOYSA-N

Safety Data
 

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