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Methyl 4-hydroxyquinoline-2-carboxylate

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Name

Methyl 4-hydroxyquinoline-2-carboxylate

EINECS N/A
CAS No. 5965-59-3 Density 1.288 g/cm3
PSA 59.42000 LogP 1.72700
Solubility N/A Melting Point 224 °C
Formula C11H9NO3 Boiling Point 331.1 °C at 760 mmHg
Molecular Weight 203.19 Flash Point 154 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5965-59-3 (Methyl 4-hydroxyquinoline-2-carboxylate) Hazard Symbols N/A
Synonyms

Methyl 4-oxo-1H-quinoline-2-carboxylate;2-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-, methyl ester;2-Quinolinecarboxylic acid, 4-hydroxy-, methyl ester;

Article Data 20

Methyl 4-hydroxyquinoline-2-carboxylate Specification

The Methyl 4-hydroxyquinoline-2-carboxylate, with the CAS registry number 5965-59-3, is also known as 2-Quinolinecarboxylic acid, 4-hydroxy-, methyl ester. This chemical's molecular formula is C11H9NO3 and molecular weight is 203.19. What's more, its systematic name is methyl 4-oxo-1H-quinoline-2-carboxylate.

Physical properties of Methyl 4-hydroxyquinoline-2-carboxylate are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 12.84; (6)ACD/BCF (pH 7.4): 9.73; (7)ACD/KOC (pH 5.5): 125.53; (8)ACD/KOC (pH 7.4): 95.15; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 52.45 cm3; (15)Molar Volume: 157.6 cm3; (16)Polarizability: 20.79×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 154 °C; (20)Enthalpy of Vaporization: 57.37 kJ/mol; (21)Boiling Point: 331.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00016 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=CC(=O)C2=CC=CC=C2N1
(2)InChI: InChI=1S/C11H9NO3/c1-15-11(14)9-6-10(13)7-4-2-3-5-8(7)12-9/h2-6H,1H3,(H,12,13)
(3)InChIKey: RMPKIWQIHSVNCB-UHFFFAOYSA-N

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