2-Oxo-1-(pyridin-3-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid (954225-20-8)

The CAS number of 2-Oxo-1-(pyridin-3-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid is 954225-20-8. Its molecular formula is C₁₂H₁₀N₂O₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 70.5 Å²; (10)Index of Refraction: 1.651; (11)Molar Refractivity: 59.32 cm³; (12)Molar Volume: 162.3 cm³; (13)Polarizability: 23.51×10^-24cm³; (14)Surface Tension: 73.4 dyne/cm; (15)Enthalpy of Vaporization: 82.57 kJ/mol; (16)Vapour Pressure: 2.4×10^-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C\2=C\C=C/N(Cc1cnccc1)C/2=O
(2)InChI: InChI=1/C12H10N2O3/c15-11-10(12(16)17)4-2-6-14(11)8-9-3-1-5-13-7-9/h1-7H,8H2,(H,16,17)
(3)InChIKey: RVZRRKIEIRGXJP-UHFFFAOYAM