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CAS No.: | 75754-04-0 |
---|---|
Name: | 5-PHENYLPICOLINIC ACID |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C12H9NO2 |
Molecular Weight: | 199.209 |
Synonyms: | Picolinicacid, 5-phenyl- (6CI);5-Phenyl-2-pyridinecarboxylic acid; |
Density: | 1.241 g/cm3 |
Melting Point: | 156-157℃ |
Boiling Point: | 398.8 °C at 760 mmHg |
Flash Point: | 195 °C |
Risk Codes: | 22-36/37/38 |
Safety: | 22-26-36/37/39 |
PSA: | 50.19000 |
LogP: | 2.44680 |
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The 2-Pyridinecarboxylicacid, 5-phenyl- is an organic compound with the formula C12H9NO2. The systematic name of this chemical is 5-phenylpyridine-2-carboxylic acid. With the CAS registry number 75754-04-0, it is also named as 5-Phenyl-2-pyridinecarboxylic acid.
Physical properties about 2-Pyridinecarboxylicacid, 5-phenyl- are: (1)ACD/LogP: 1.93; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): -1.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.88; (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: 22.14×10-24cm3; (16)Surface Tension: 54.9 dyne/cm; (17)Density: 1.241 g/cm3; (18)Flash Point: 195 °C; (19)Enthalpy of Vaporization: 68.49 kJ/mol; (20)Boiling Point: 398.8 °C at 760 mmHg; (21)Vapour Pressure: 4.48E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ncc(c1ccccc1)cc2
(2)InChI: InChI=1/C12H9NO2/c14-12(15)11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
(3)InChIKey: CNCJXSKAKGXNKJ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H9NO2/c14-12(15)11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
(5)Std. InChIKey: CNCJXSKAKGXNKJ-UHFFFAOYSA-N