4-Phenylpyridine-2-carboxylic acid supplier

Name
4-PHENYLPYRIDINE-2-CARBOXYLIC ACID
EINECS 1806241-263-5
CAS No. 52565-56-7
Article Data6
CAS DataBase
Density 1.241 g/cm³
Solubility
Melting Point
Formula C₁₂H₉NO₂
Boiling Point 405 °C at 760 mmHg
Molecular Weight 199.209
Flash Point 198.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Phenyl-2-pyridinecarboxylicacid;4-Phenylpicolinic acid;
PSA 50.19000
LogP 2.44680

4-Phenylpyridine-2-carboxylic acid Specification

The 2-Pyridinecarboxylicacid, 4-phenyl-, with CAS registry number 52565-56-7, has the systematic name of 4-phenylpyridine-2-carboxylic acid. Its molecular formula is C₁₂H₉NO₂and its molecular weight is 199.21. Additionally, its product categories are Carboxylic Acids; Pyridines.

Physical properties of 2-Pyridinecarboxylicacid, 4-phenyl- are : (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): -1.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.37; (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: 1.613; (14)Molar Refractivity: 55.86 cm³; (15)Molar Volume: 160.4 cm³; (16)Polarizability: 22.14×10^-24cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.241 g/cm³; (19)Flash Point: 198.7 °C; (20)Enthalpy of Vaporization: 69.22 kJ/mol; (21)Boiling Point: 405 °C at 760 mmHg; (22)Vapour Pressure: 2.76E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2nccc(c1ccccc1)c2
(2)InChI: InChI=1/C12H9NO2/c14-12(15)11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
(3)InChIKey: VSKRUAKMKGOMBG-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H9NO2/c14-12(15)11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
(5)Std. InChIKey: VSKRUAKMKGOMBG-UHFFFAOYSA-N

Product Name

4-PHENYLPYRIDINE-2-CARBOXYLIC ACID

4-Phenylpyridine-2-carboxylic acid Specification

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