3-Pyridinecarboxylicacid, 5-phenyl- supplier

Name
5-PHENYLNICOTINIC ACID
EINECS
CAS No. 10177-12-5
Article Data11
CAS DataBase
Density 1.241 g/cm³
Solubility
Melting Point 260 °C
Formula C₁₂H₉NO₂
Boiling Point 420.1 °C at 760 mmHg
Molecular Weight 199.209
Flash Point 207.8 °C
Transport Information
Appearance
Safety 26
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Nicotinicacid, 5-phenyl- (6CI,7CI,8CI);5-Phenylnicotinic acid;5-Phenylpyridine-3-carboxylic acid;NSC 404257;AKOS BAR-0484;
PSA 50.19000
LogP 2.44680

3-Pyridinecarboxylicacid, 5-phenyl- Specification

The 3-Pyridinecarboxylicacid, 5-phenyl-, with the CAS registry number 10177-12-5, is also known as 3-Phenyl-5-pyridinecarboxylic acid. This chemical's molecular formula is C₁₂H₉NO₂ and molecular weight is 199.21. What's more, its systematic name is 5-phenylpyridine-3-carboxylic acid.

Physical properties of 3-Pyridinecarboxylicacid, 5-phenyl- are(1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.19 Å²; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 55.86 cm³; (14)Molar Volume: 160.4 cm³; (15)Polarizability: 22.14×10^-24 cm³; (16)Surface Tension: 54.9 dyne/cm; (17)Density: 1.241 g/cm³; (18)Flash Point: 207.8 °C; (19)Enthalpy of Vaporization: 71.04 kJ/mol; (20)Boiling Point: 420.1 °C at 760 mmHg; (21)Vapour Pressure: 8.31E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)c2cncc(c1ccccc1)c2
(2)InChI: InChI=1/C12H9NO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
(3)InChIKey: VKFXHYRIHRTEIV-UHFFFAOYAO

Product Name

5-PHENYLNICOTINIC ACID

3-Pyridinecarboxylicacid, 5-phenyl- Specification

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