3-Pyridinepropanoicacid, 6-chloro-b-oxo-, ethyl ester supplier

Name
ETHYL 3-(6-CHLORO-3-PYRIDYL)-3-OXOPROPANOATE
EINECS
CAS No. 216317-64-5
Article Data7
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀ClNO₃
Boiling Point 346.313 °C at 760 mmHg
Molecular Weight 227.647
Flash Point 163.244 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ETHYL 3-(6-CHLORO-3-PYRIDYL)-3-OXOPROPANOATE;ethyl 3-(6-chloropyridin-3-yl)-3-oxopropanoate
PSA 56.26000
LogP 1.87090

3-Pyridinepropanoicacid, 6-chloro-b-oxo-, ethyl ester Specification

The 3-Pyridinepropanoicacid, 6-chloro-b-oxo-, ethyl ester has CAS registry number 216317-64-5. This chemical's molecular formula is C₁₀H₁₀ClNO₃ and molecular weight is 227.65. What's more, its systematic name is ethyl 3-(6-chloropyridin-3-yl)-3-oxopropanoate.

Physical properties of 3-Pyridinepropanoicacid, 6-chloro-b-oxo-, ethyl ester are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 144; (8)ACD/KOC (pH 7.4): 143; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 56.26 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 54.941 cm³; (15)Molar Volume: 179.141 cm³; (16)Polarizability: 21.78×10^-24cm³; (17)Surface Tension: 46.009 dyne/cm; (18)Density: 1.271 g/cm³; (19)Flash Point: 163.244 °C; (20)Enthalpy of Vaporization: 59.047 kJ/mol; (21)Boiling Point: 346.313 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cnc(Cl)cc1)CC(=O)OCC
(2)Std. InChI: InChI=1S/C10H10ClNO3/c1-2-15-10(14)5-8(13)7-3-4-9(11)12-6-7/h3-4,6H,2,5H2,1H3
(3)Std. InChIKey: GDJNNARPYCGJSG-UHFFFAOYSA-N

Product Name

ETHYL 3-(6-CHLORO-3-PYRIDYL)-3-OXOPROPANOATE

3-Pyridinepropanoicacid, 6-chloro-b-oxo-, ethyl ester Specification

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