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Basic Information
CAS No.: 216317-64-5
Name: ETHYL 3-(6-CHLORO-3-PYRIDYL)-3-OXOPROPANOATE
Article Data: 7
Molecular Structure:
Molecular Structure of 216317-64-5 (ETHYL 3-(6-CHLORO-3-PYRIDYL)-3-OXOPROPANOATE)
Formula: C10H10ClNO3
Molecular Weight: 227.647
Synonyms: ETHYL 3-(6-CHLORO-3-PYRIDYL)-3-OXOPROPANOATE;ethyl 3-(6-chloropyridin-3-yl)-3-oxopropanoate
Density: 1.271 g/cm3
Boiling Point: 346.313 °C at 760 mmHg
Flash Point: 163.244 °C
PSA: 56.26000
LogP: 1.87090
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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