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