(2-Oxo-2H-pyridin-1-yl)acetic acid (56546-36-2)

The (2-Oxo-2H-pyridin-1-yl)acetic acid is an organic compound with the formula C₇H₇NO₃. The IUPAC name of this chemical is 2-(2-oxopyridin-1-yl)acetate. With the CAS registry number 56546-36-2, it is also named as (2-Oxopyridin-1(2H)-yl)acetic acid.

Physical properties about (2-Oxo-2H-pyridin-1-yl)acetic acid are: (1)ACD/LogP: -0.59; (2)ACD/LogD (pH 5.5): -2.75; (3)ACD/LogD (pH 7.4): -4.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.61Ų; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 36.85 cm³; (14)Molar Volume: 112.7 cm³; (15)Polarizability: 14.61×10^-24cm³; (16)Surface Tension: 56.7 dyne/cm; (17)Density: 1.357 g/cm³; (18)Flash Point: 220.4 °C; (19)Enthalpy of Vaporization: 76.53 kJ/mol; (20)Boiling Point: 440.8 °C at 760 mmHg; (21)Vapour Pressure: 5.28E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1/C=C\C=C/C1=O
(2)InChI: InChI=1/C7H7NO3/c9-6-3-1-2-4-8(6)5-7(10)11/h1-4H,5H2,(H,10,11)
(3)InChIKey: VMONVJKJUDZYIE-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H7NO3/c9-6-3-1-2-4-8(6)5-7(10)11/h1-4H,5H2,(H,10,11)
(5)Std. InChIKey: VMONVJKJUDZYIE-UHFFFAOYSA-N