CAS No.39111-94-9,3-QUINOLIN-2-YLPROPANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39111-94-9
Name:	3-QUINOLIN-2-YLPROPANOIC ACID

Formula:	C₁₂H₁₁NO₂
Molecular Weight:	201.225
Synonyms:	2-Quinolinepropionicacid (6CI);2-(2-Carboxyethyl)quinoline;NSC 99366;3-(Quinolin-2-yl)propanoic acid;
Density:	1.252 g/cm³
Melting Point:	126 - 128 °C
Boiling Point:	374.302 °C at 760 mmHg
Flash Point:	180.172 °C
PSA:	50.19000
LogP:	2.25200

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Specification

The 2-Quinolinepropanoic acid, with the CAS registry number 39111-94-9, is also known as 2-(2-Carboxyethyl)quinoline. This chemical's molecular formula is C₁₂H₁₁NO₂ and molecular weight is 201.22. What's more, its systematic name is 3-(2-Quinolinyl)propanoic acid.

Physical properties of 2-Quinolinepropanoic acid are: (1)ACD/LogP: 1.221; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.06; (4)ACD/LogD (pH 7.4): -1.57; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 5.81; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.19 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 57.933 cm³; (15)Molar Volume: 160.723 cm³; (16)Polarizability: 22.967×10^-24cm³; (17)Surface Tension: 57.94 dyne/cm; (18)Density: 1.252 g/cm³; (19)Flash Point: 180.172 °C; (20)Enthalpy of Vaporization: 65.583 kJ/mol; (21)Boiling Point: 374.302 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc1nc2ccccc2cc1
(2)Std. InChI: InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)
(3)Std. InChIKey: PBXJDATXARPDPW-UHFFFAOYSA-N