CAS No.52980-28-6,4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52980-28-6
Name:	4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID METHYL ESTER
Article Data:	65

Formula:	C₁₂H₁₁NO₃
Molecular Weight:	217.224
Synonyms:	3-Ethoxycarbonyl-4(1H)-quinolone;4-Oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester;Ethyl 1,4-dihydro-4-oxoquinoline-3-carboxylate;Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylate;
EINECS:	695-104-1
Density:	1.247 g/cm³
Melting Point:	270 °C
Boiling Point:	343.692 °C at 760 mmHg
Flash Point:	161.66 °C
Appearance:	Off-white Powder
PSA:	59.16000
LogP:	1.70480

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Specification

The Ethyl 4-oxo-1,4-dihydro-3-quinolinecarboxylate, with the CAS registry number 52980-28-6, is also known as 4-Oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₂H₁₁NO₃ and molecular weight is 217.22. What's more, its systematic name is Ethyl 4-oxo-1,4-dihydro-3-quinolinecarboxylate.

Physical properties of Ethyl 4-oxo-1,4-dihydro-3-quinolinecarboxylate are: (1)ACD/LogP: 1.756; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.72; (6)ACD/BCF (pH 7.4): 12.72; (7)ACD/KOC (pH 5.5): 214.88; (8)ACD/KOC (pH 7.4): 214.89; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 57.089 cm³; (15)Molar Volume: 174.198 cm³; (16)Polarizability: 22.632×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.247 g/cm³; (19)Flash Point: 161.66 °C; (20)Enthalpy of Vaporization: 58.758 kJ/mol; (21)Boiling Point: 343.692 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(cccc1)N/C=C/2C(=O)OCC
(2)Std. InChI: InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14/h3-7H,2H2,1H3,(H,13,14)
(3)Std. InChIKey: YBEOYBKKSWUSBR-UHFFFAOYSA-N