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6-Quinolinecarboxylicacid, 2-methyl- (635-80-3)

Identification
Name:6-Quinolinecarboxylicacid, 2-methyl-
Synonyms:2-Methyl-6-quinolinecarboxylicacid;
CAS:635-80-3
Molecular Formula: C11H9NO2
Molecular Weight: 187.19
InChI: InChI=1/C11H9NO2/c1-7-2-3-8-6-9(11(13)14)4-5-10(8)12-7/h2-6H,1H3,(H,13,14)
Molecular Structure: (C11H9NO2) 2-Methyl-6-quinolinecarboxylicacid;
Properties
Melting Point: 250 ºC
Density:1.285
Refractive index:1.663
Specification:

The 2-Methyl-6-quinolinecarboxylic acid with cas registry number of 635-80-3 is also known as Quinaldine-6-carboxylic acid. It belongs to the following categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Quinolines, Isoquinolines & Quinoxalines; Heterocyclic Compounds. This chemical also has a systematic name which is called 2-methylquinoline-6-carboxylic acid.

The physical properties about this chemical are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.89; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 53.94 cm3; (14)Molar Volume: 145.5 cm3; (15)Surface Tension: 59.9 dyne/cm; (16)Density: 1.285 g/cm3; (17)Flash Point: 164 °C; (18)Enthalpy of Vaporization: 62.46 kJ/mol; (19)Boiling Point: 347.6 °C at 760 mmHg; (20)Vapour Pressure: 2.01E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. And it is also harmful if swallowed. Therefore, it is better to wear suitable protective clothing, gloves and eye/face protection during using it. And do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc2nc(ccc2c1)C;
(2)InChI: InChI=1/C11H9NO2/c1-7-2-3-8-6-9(11(13)14)4-5-10(8)12-7/h2-6H,1H3,(H,13,14);
(3)InChIKey: IZONZQFTYGVOOO-UHFFFAOYAH

Safety Data
Hazard Symbols Xn: Harmful