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CAS No.: | 43071-45-0 |
---|---|
Name: | 3-METHYL-2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C17H13NO2 |
Molecular Weight: | 263.296 |
Synonyms: | 2-Phenyl-3-methyl-4-quinolinecarboxylicacid;3-Methyl-2-phenylcinchoninic acid;3-Methyl-2-phenylquinoline-4-carboxylicacid; |
Density: | 1.248 g/cm3 |
Boiling Point: | 443.2 °C at 760 mmHg |
Flash Point: | 221.8 °C |
Hazard Symbols: | Xi |
PSA: | 50.19000 |
LogP: | 3.90840 |
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The 4-Quinolinecarboxylicacid, 3-methyl-2-phenyl-, with the CAS registry number 43071-45-0, is also known as 2-Phenyl-3-methyl-4-quinolinecarboxylicacid. This chemical's molecular formula is C17H13NO2 and molecular weight is 263.29. What's more, its systematic name is 3-methyl-2-phenylquinoline-4-carboxylic acid.
Physical properties of 4-Quinolinecarboxylicacid, 3-methyl-2-phenyl- are: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 2.51; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 11.11; (8)ACD/KOC (pH 7.4): 4.56; (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)Polarizability: 31.13×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 221.8 °C; (20)Enthalpy of Vaporization: 73.86 kJ/mol; (21)Boiling Point: 443.2 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c3ccccc3nc(c1C)c2ccccc2
(2)InChI: InChI=1S/C17H13NO2/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
(3)InChIKey: ZSVACLAZDFXWQG-UHFFFAOYSA-N