6-HYDROXYNICOTINIC ACID ETHYL ESTER (18617-50-0)

The Ethyl 6-hydroxynicotinate with the CAS number 18617-50-0 is also called 3-Pyridinecarboxylicacid, 1,6-dihydro-6-oxo-, ethyl ester. The systematic name is ethyl 6-oxo-1,6-dihydropyridine-3-carboxylate. Its molecular formula is C₈H₉NO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Ethyl 6-hydroxynicotinate are: (1)ACD/LogP: -0.51; (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): 7.18; (6)ACD/KOC (pH 7.4): 6.33; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.61Ų; (11)Index of Refraction: 1.512; (12)Molar Refractivity: 41.32 cm³; (13)Molar Volume: 137.6 cm³; (14)Polarizability: 16.38×10^-24cm³; (15)Surface Tension: 42.3 dyne/cm; (16)Enthalpy of Vaporization: 59.18 kJ/mol; (17)Vapour Pressure: 5.36×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)/C1=C/NC(=O)/C=C1
(2)InChI: InChI=1/C8H9NO3/c1-2-12-8(11)6-3-4-7(10)9-5-6/h3-5H,2H2,1H3,(H,9,10)
(3)InChIKey: YYNSXKLGLKOLQZ-UHFFFAOYAR