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1873-51-4

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Basic Information
CAS No.: 1873-51-4
Name: 3-METHYLQUINOLINE-4-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 1873-51-4 (3-METHYLQUINOLINE-4-CARBOXYLIC ACID)
Formula: C11H9NO2
Molecular Weight: 187.19
Synonyms: Cinchoninicacid, 3-methyl- (7CI,8CI);3-Methylquinoline-4-carboxylic acid;3-Methyl-4-quinolinecarboxylic acid;
Density: 1.285 g/cm3
Boiling Point: 356.9 °C at 760 mmHg
Flash Point: 169.7 °C
PSA: 50.19000
LogP: 2.24140
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Specification

The 4-Quinolinecarboxylicacid, 3-methyl-, with the CAS registry number 1873-51-4, is also known as 3-Methyl-4-quinolinecarboxylic acid. This chemical's molecular formula is C11H9NO2 and molecular weight is 187.19. What's more, its systematic name is 3-methylquinoline-4-carboxylic acid.

Physical properties of 4-Quinolinecarboxylicacid, 3-methyl- are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 53.94 cm3; (15)Molar Volume: 145.5 cm3; (16)Polarizability: 21.38×10-24cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.285 g/cm3; (19)Flash Point: 169.7 °C; (20)Enthalpy of Vaporization: 63.55 kJ/mol; (21)Boiling Point: 356.9 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c2ccccc2ncc1C
(2)InChI: InChI=1S/C11H9NO2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11(13)14/h2-6H,1H3,(H,13,14)
(3)InChIKey: KXCBWEJWVBHYKF-UHFFFAOYSA-N