Ethyl 2-(4-oxopyridin-1(4H)-yl)acetate supplier

Name
Ethyl 2-(4-oxopyridin-1(4H)-yl)acetate
EINECS
CAS No. 58530-44-2
Density 1.171 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₃
Boiling Point 278.8 °C at 760 mmHg
Molecular Weight 181.1885
Flash Point 122.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl (4-oxopyridin-1(4H)-yl)acetate;
PSA
LogP

Ethyl 2-(4-oxopyridin-1(4H)-yl)acetate Specification

The Ethyl 2-(4-oxopyridin-1(4H)-yl)acetate has CAS registry number 58530-44-2. This chemical's molecular formula is C₉H₁₁NO₃ and molecular weight is 181.1885. What's more, its systematic name is Ethyl (4-oxopyridin-1(4H)-yl)acetate.

Physical properties about Ethyl 2-(4-oxopyridin-1(4H)-yl)acetate are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 39.31; (8)ACD/KOC (pH 7.4): 39.31; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 46.33 cm³; (15)Molar Volume: 154.6 cm³; (16)Polarizability: 18.36×10^-24 cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.171 g/cm³; (19)Flash Point: 122.4 °C; (20)Enthalpy of Vaporization: 51.75 kJ/mol; (21)Boiling Point: 278.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00416 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CN\1/C=C\C(=O)/C=C/1)OCC
(2) InChI: InChI=1/C9H11NO3/c1-2-13-9(12)7-10-5-3-8(11)4-6-10/h3-6H,2,7H2,1H3
(3) InChIKey: GUHKHJRFMVASHE-UHFFFAOYAG

Product Name

Ethyl 2-(4-oxopyridin-1(4H)-yl)acetate

Ethyl 2-(4-oxopyridin-1(4H)-yl)acetate Specification

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