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3-Pyridinecarboxylic acid, 5-(2-phenylethynyl)-

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Name

3-Pyridinecarboxylic acid, 5-(2-phenylethynyl)-

EINECS N/A
CAS No. 175203-69-7 Density 1.31 g/cm3
PSA 50.19000 LogP 2.17960
Solubility N/A Melting Point 245 °C
Formula C14H9NO2 Boiling Point 454.1 °C at 760 mmHg
Molecular Weight 223.231 Flash Point 228.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175203-69-7 (5-(2-PHENYLETH-1-YNYL)NICOTINIC ACID) Hazard Symbols R36/37/38:;
Synonyms

5-(Phenylethynyl)pyridine-3-carboxylic acid;3-Pyridinecarboxylicacid, 5-(phenylethynyl)- (9CI);5-(Phenylethynyl)nicotinic acid;

 

3-Pyridinecarboxylic acid, 5-(2-phenylethynyl)- Specification

This chemical is called 3-Pyridinecarboxylic acid, 5-(2-phenylethynyl)-, and its systematic name is 5-(phenylethynyl)pyridine-3-carboxylic acid. With the molecular formula of C14H9NO2, its molecular weight is 223.23. The CAS registry number of this chemical is 175203-69-7. Additionally, its product categories are Carboxylic Acids; Pyridines.

Other characteristics of the 3-Pyridinecarboxylic acid, 5-(2-phenylethynyl)- can be summarised as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.75; (8)ACD/KOC (pH 7.4): 1; (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: 1.66; (14)Molar Refractivity: 62.8 cm3; (15)Molar Volume: 169.9 cm3; (16)Polarizability: 24.89×10-24cm3; (17)Surface Tension: 69.5 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 228.4 °C; (20)Enthalpy of Vaporization: 75.2 kJ/mol; (21)Boiling Point: 454.1 °C at 760 mmHg; (22)Vapour Pressure: 4.89E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c2cncc(C#Cc1ccccc1)c2
2.InChI: InChI=1/C14H9NO2/c16-14(17)13-8-12(9-15-10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,16,17)
3.InChIKey: DXJZBANECHYHRT-UHFFFAOYAF

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