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CAS No.: | 20389-05-3 |
---|---|
Name: | 2-P-TOLYL-QUINOLINE-4-CARBOXYLIC ACID |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C17H13NO2 |
Molecular Weight: | 263.296 |
Synonyms: | Cinchoninicacid, 2-p-tolyl- (7CI,8CI);Cinchophen, 4'-methyl- (3CI);2-(4-Methylphenyl)quinoline-4-carboxylic acid; |
Density: | 1.248 g/cm3 |
Boiling Point: | 463.4 °C at 760 mmHg |
Flash Point: | 234 °C |
Hazard Symbols: | Xi |
PSA: | 50.19000 |
LogP: | 3.90840 |
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The 4-Quinolinecarboxylicacid, 2-(4-methylphenyl)-, with the CAS registry number 20389-05-3, is also known as 2-p-Tolylquinoline-4-carboxylic acid. This chemical's molecular formula is C17H13NO2 and molecular weight is 263.29. What's more, both its IUPAC name and systematic name are the same which is called 2-(4-Methylphenyl)quinoline-4-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 4-Quinolinecarboxylicacid, 2-(4-methylphenyl)- are: (1) ACD/LogP: 4.22; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.6; (4) ACD/LogD (pH 7.4): 1.09; (5) ACD/BCF (pH 5.5): 2.27; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 11.26; (8) ACD/KOC (pH 7.4): 3.46; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 39.19 Å2; (13) Index of Refraction: 1.667; (14) Molar Refractivity: 78.53 cm3; (15) Molar Volume: 210.8 cm3; (16) Surface Tension: 56.6 dyne/cm; (17) Density: 1.248 g/cm3; (18)Flash Point: 234 °C; (19) Enthalpy of Vaporization: 76.34 kJ/mol; (20) Boiling Point: 463.4 °C at 760 mmHg; (21) Vapour Pressure: 2.2E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c3ccccc3nc(c1)c2ccc(cc2)C
(2) InChI: InChI=1/C17H13NO2/c1-11-6-8-12(9-7-11)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)
(3) InChIKey: CKOMAFAOCHXEQX-UHFFFAOYAP