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179626-99-4

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Basic Information
CAS No.: 179626-99-4
Name: 2-METHYL-4-PHENYL-8-QUINOLINOL
Article Data: 2
Molecular Structure:
Molecular Structure of 179626-99-4 (2-METHYL-4-PHENYL-8-QUINOLINOL)
Formula: C16H13NO
Molecular Weight: 235.28
Synonyms: 2-Methyl-4-phenyl-8-quinolinol;2-Methyl-4-phenylquinolin-8-ol;
Density: 1.195 g/cm3
Boiling Point: 401.1 °C at 760 mmHg
Flash Point: 196.4 °C
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    2-METHYL-4-PHENYL-8-QUINOLINOLAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 8-Quinolinol,2-methyl-4-phenyl-, with the CAS registry number 179626-99-4, is also known as 2-Methyl-4-phenyl-8-quinolinol. This chemical's molecular formula is C16H13NO and molecular weight is 235.28. What's more, its systematic name is 2-Methyl-4-phenylquinolin-8-ol.

Physical properties of 8-Quinolinol,2-methyl-4-phenyl- are: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 16.82; (6)ACD/BCF (pH 7.4): 19.87; (7)ACD/KOC (pH 5.5): 89.14; (8)ACD/KOC (pH 7.4): 105.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 73.48 cm3; (15)Molar Volume: 196.7 cm3; (16)Polarizability: 29.13×10-24 cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.195 g/cm3; (19)Flash Point: 196.4 °C; (20)Enthalpy of Vaporization: 67.75 kJ/mol; (21)Boiling Point: 401.1 °C at 760 mmHg; (22)Vapour Pressure: 5.21E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccc2c(cc(C)nc12)c3ccccc3
(2)InChI: InChI=1S/C16H13NO/c1-11-10-14(12-6-3-2-4-7-12)13-8-5-9-15(18)16(13)17-11/h2-10,18H,1H3
(3)InChIKey: GKZMDIIFEXMVJY-UHFFFAOYSA-N