4-Pyridinecarboxylicacid, 1,2-dihydro-2-oxo-1-(phenylmethyl)- (63987-74-6)

The 1-Benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid with cas registry number of 63987-74-6, whose systematic name is 1-benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 57.61 Å²; (11)Index of Refraction: 1.643; (12)Molar Refractivity: 61.23 cm³; (13)Molar Volume: 169.1 cm³; (14)Polarizability: 24.27×10^-24cm³; (15)Surface Tension: 64.7 dyne/cm; (16)Enthalpy of Vaporization: 73.87 kJ/mol; (17)Vapour Pressure: 1.22E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES:OC(=O)C=2\C=C/N(Cc1ccccc1)C(=O)C=2;
(2)InChI:InChI=1/C13H11NO3/c15-12-8-11(13(16)17)6-7-14(12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17);
(3)InChIKey:DBDXICAOJOTYBI-UHFFFAOYAC;
(4)Std. InChI:InChI=1S/C13H11NO3/c15-12-8-11(13(16)17)6-7-14(12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17);
(5)Std. InChIKey:DBDXICAOJOTYBI-UHFFFAOYSA-N.