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107456-13-3

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Basic Information
CAS No.: 107456-13-3
Name: butyl quinoline-8-carboxylate
Molecular Structure:
Molecular Structure of 107456-13-3 (butyl quinoline-8-carboxylate)
Formula: C14H15NO2
Molecular Weight: 229.279
Synonyms: Butyl 8-quinolinecarboxylate;Butyl quinoline-8-carboxylate;
Density: 1.122 g/cm3
Boiling Point: 355.6 °C at 760 mmHg
Flash Point: 168.9 °C
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Specification

The 8-Quinolinecarboxylic acid, butyl ester, with the CAS registry number 107456-13-3, is also known as Butyl 8-quinolinecarboxylate. This chemical's molecular formula is C14H15NO2 and molecular weight is 229.27. What's more, its systematic name is Butyl quinoline-8-carboxylate.

Physical properties of 8-Quinolinecarboxylic acid, butyl ester are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.57; (6)ACD/BCF (pH 7.4): 92.99; (7)ACD/KOC (pH 5.5): 888.52; (8)ACD/KOC (pH 7.4): 892.49; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 67.85 cm3; (15)Molar Volume: 204.1 cm3; (16)Polarizability: 26.9×10-24 cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.122 g/cm3; (19)Flash Point: 168.9 °C; (20)Enthalpy of Vaporization: 60.08 kJ/mol; (21)Boiling Point: 355.6 °C at 760 mmHg; (22)Vapour Pressure: 3.09E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC(=O)C1=CC=CC2=C1N=CC=C2
(2)InChI: InChI=1S/C14H15NO2/c1-2-3-10-17-14(16)12-8-4-6-11-7-5-9-15-13(11)12/h4-9H,2-3,10H2,1H3
(3)InChIKey: GJFPGGGITOORJL-UHFFFAOYSA-N