1,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid ethyl ester supplier

Name
1,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid ethyl ester
EINECS
CAS No. 40059-53-8
Article Data2
CAS DataBase
Density 1.363 g/cm³
Solubility
Melting Point 208 °C
Formula C₁₂H₁₁NO₄
Boiling Point 457.986 °C at 760 mmHg
Molecular Weight 233.224
Flash Point 230.782 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Ethoxycarbonyl-2,4-dihydroxyquinoline;Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate;
PSA 79.39000
LogP 1.41040

1,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid ethyl ester Specification

The CAS register number of 3-Quinolinecarboxylicacid, 1,2-dihydro-4-hydroxy-2-oxo-, ethyl ester is 40059-53-8. It also can be called as 4-Hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester and the IUPAC name about this chemical is (3Z)-3-[ethoxy(hydroxy)methylidene]-1H-quinoline-2,4-dione. The molecular formula about this chemical is C₁₂H₁₁NO₄ and the molecular weight is 233.22. Classification code about this chemical is Drug / Therapeutic Agent.

Physical properties about 3-Quinolinecarboxylicacid, 1,2-dihydro-4-hydroxy-2-oxo-, ethyl ester are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 7.4): -2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 75.63Å²; (11)Index of Refraction: 1.61; (12)Molar Refractivity: 58.675 cm³; (13)Molar Volume: 169.178 cm³; (14)Polarizability: 23.261x10^-24cm³; (15)Surface Tension: 58.979 dyne/cm; (16)Enthalpy of Vaporization: 75.678 kJ/mol; (17)Boiling Point: 457.986 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C\1=C(/O)c2ccccc2NC/1=O
(2)InChI: InChI=1/C12H11NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)13-11(9)15/h3-6H,2H2,1H3,(H2,13,14,15)
(3)InChIKey: LGLPFJDOUVCBNP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H11NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)13-11(9)15/h3-6H,2H2,1H3,(H2,13,14,15)
(5)Std. InChIKey: LGLPFJDOUVCBNP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	163mg/kg (163mg/kg)		Pharmaceutical Chemistry Journal Vol. 26, Pg. 138, 1992.

Product Name

1,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid ethyl ester

1,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid ethyl ester Specification

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