CAS No.57905-31-4,4-HYDROXY-NICOTINIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57905-31-4
Name:	4-HYDROXY-NICOTINIC ACID ETHYL ESTER

Formula:	C₈H₉NO₃
Molecular Weight:	167.162
Synonyms:	Ethyl 4-hydroxynicotinate;
Density:	1.214 g/cm³
Boiling Point:	285.6 °C at 760 mmHg
Flash Point:	126.5 °C
PSA:	59.42000
LogP:	0.96390

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Specification

The 3-Pyridinecarboxylicacid, 4-hydroxy-, ethyl ester, with the CAS registry number 57905-31-4, is also known as Ethyl 4-hydroxynicotinate. It belongs to the product categories of Blocks; Carboxes; Pyridines; Pharmacetical. This chemical's molecular formula is C₈H₉NO₃ and molecular weight is 167.162. What's more, its systematic name is called Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate.

Physical properties about 3-Pyridinecarboxylicacid, 4-hydroxy-, ethyl ester are: (1)ACD/LogP: -0.92; (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): 7.01; (6)ACD/KOC (pH 7.4): 8; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.512; (12)Molar Refractivity: 41.32 cm³; (13)Molar Volume: 137.6 cm³; (14)Polarizability: 16.38×10^-24 cm³; (15)Surface Tension: 42.3 dyne/cm; (16)Density: 1.214 g/cm³; (17)Flash Point: 126.5 °C; (18)Enthalpy of Vaporization: 52.47 kJ/mol; (19)Boiling Point: 285.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00278 mmHg at 25 °C.

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