3-Pyridinecarboxylicacid, 4-phenyl- supplier

Name
4-PHENYLNICOTINIC ACID
EINECS
CAS No. 103863-14-5
Article Data4
CAS DataBase
Density 1.241 g/cm³
Solubility
Melting Point 148-150 °C
Formula C₁₂H₉NO₂
Boiling Point 353.7 °C at 760 mmHg
Molecular Weight 199.209
Flash Point 167.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Phenylnicotinic acid;
PSA 50.19000
LogP 2.44680

3-Pyridinecarboxylicacid, 4-phenyl- Specification

The 3-Pyridinecarboxylicacid, 4-phenyl-, with the CAS registry number 103863-14-5, is also known as 4-Phenylnicotinic acid. This chemical's molecular formula is C₁₂H₉NO₂ and molecular weight is 199.2054. What's more, its systematic name is also called 4-Phenylpyridine-3-carboxylic acid.

Physical properties about 3-Pyridinecarboxylicacid, 4-phenyl- are: (1)ACD/LogP: 1.36; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.22; (4)ACD/LogD (pH 7.4): -1.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (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^-24 cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.241 g/cm³; (19)Flash Point: 167.7 °C; (20)Enthalpy of Vaporization: 63.17 kJ/mol; (21)Boiling Point: 353.7 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2c(c1ccccc1)ccnc2
(2) InChI: InChI=1/C12H9NO2/c14-12(15)11-8-13-7-6-10(11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
(3) InChIKey: HMFLWFBUKXQGIJ-UHFFFAOYAS

Product Name

4-PHENYLNICOTINIC ACID

3-Pyridinecarboxylicacid, 4-phenyl- Specification

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