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57278-42-9

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Basic Information
CAS No.: 57278-42-9
Name: 8-METHYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 57278-42-9 (8-METHYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID)
Formula: C11H9NO3
Molecular Weight: 203.19
Synonyms: 8-Methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;NSC 199379;4-Hydroxy-8-methylquinoline-3-carboxylic acid;
Density: 1.367 g/cm3
Boiling Point: 374.1 °C at 760 mmHg
Flash Point: 180.1 °C
Hazard Symbols: Xi
PSA: 70.16000
LogP: 1.53470
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Specification

The 3-Quinolinecarboxylic acid, 1,4-dihydro-8-methyl-4-oxo-, with the CAS registry number 57278-42-9, is also known as 4-Hydroxy-8-methylquinoline-3-carboxylic acid. This chemical's molecular formula is C11H9NO3 and molecular weight is 203.19. What's more, its systematic name is 8-Methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid.

Physical properties of 3-Quinolinecarboxylic acid, 1,4-dihydro-8-methyl-4-oxo- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 52.43 cm3; (15)Molar Volume: 148.6 cm3; (16)Polarizability: 20.78×10-24 cm3; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.367 g/cm3; (19)Flash Point: 180.1 °C; (20)Enthalpy of Vaporization: 65.56 kJ/mol; (21)Boiling Point: 374.1 °C at 760 mmHg; (22)Vapour Pressure: 2.92E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC2=C1NC=C(C2=O)C(=O)O
(2)InChI: InChI=1S/C11H9NO3/c1-6-3-2-4-7-9(6)12-5-8(10(7)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
(3)InChIKey: UJIRBIMPTSELQD-UHFFFAOYSA-N