Pyridinium acetate (5153-63-9)

The cas register number of Pyridinium acetate is 5153-63-9. It also can be called as Acetic acid, compd. with pyridine (1:1) and the Systematic name about this chemical is acetic acid; pyridine.

Physical properties about Pyridinium acetate are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 2.08; (7)ACD/KOC (pH 5.5): 38.58; (8)ACD/KOC (pH 7.4): 58.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89Ų; (13)Flash Point: 20 °C; (14)Enthalpy of Vaporization: 35.09 kJ/mol; (15)Boiling Point: 115.3 °C at 760 mmHg; (16)Vapour Pressure: 22.8 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(O)C.n1ccccc1
2.InChI: InChI=1/C5H5N.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h1-5H;1H3,(H,3,4) 
3.InChIKey: GAPYKZAARZMMGP-UHFFFAOYAY
4.Std. InChI: InChI=1S/C5H5N.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h1-5H;1H3,(H,3,4)