Ethyl 6-acetyl-2-pyridinecarboxylate supplier

Name
6-Acetylpyridine-2-carboxylic acid ethyl ester
EINECS
CAS No. 114578-70-0
Article Data5
CAS DataBase
Density 1.146 g/cm³
Solubility
Melting Point 50.0-51.5 °C
Formula C₁₀H₁₁NO₃
Boiling Point 329.615 °C at 760 mmHg
Molecular Weight 193.202
Flash Point 153.146 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl6-acetylpicolinate;Ethyl 6-acetylpyridine-2-carboxylate;
PSA 56.26000
LogP 1.46090

Ethyl 6-acetyl-2-pyridinecarboxylate Specification

The 2-Pyridinecarboxylicacid, 6-acetyl-, ethyl ester, with its CAS registry number 114578-70-0, has the systematic name of ethyl 6-acetylpyridine-2-carboxylate. Besides, this chemical has the molecular foumula of C₁₀H₁₁NO₃and the molecular weight of 193.20. And this chemical belongs to the product categories which include Esters; Pyridines.

The characteristics of 2-Pyridinecarboxylicacid, 6-acetyl-, ethyl ester are as follows: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 56.26; (7)Index of Refraction: 1.514; (8)Molar Refractivity: 50.778 cm³; (9)Molar Volume: 168.587 cm³; (10)Polarizability: 20.13×10^-24 cm³; (11)Surface Tension: 42.812 dyne/cm; (12)Density: 1.146 g/cm³; (13)Flash Point: 153.146 °C; (14)Enthalpy of Vaporization: 57.212 kJ/mol; (15)Boiling Point: 329.615 °C at 760 mmHg.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(OCC)c1nc(C(=O)C)ccc1
(2)InChI:InChI=1/C10H11NO3/c1-3-14-10(13)9-6-4-5-8(11-9)7(2)12/h4-6H,3H2,1-2H3
(3)InChIKey:COYXIUHSZNHMAS-UHFFFAOYAS
(4)Std. InChI:InChI=1S/C10H11NO3/c1-3-14-10(13)9-6-4-5-8(11-9)7(2)12/h4-6H,3H2,1-2H3
(5)Std. InChIKey:COYXIUHSZNHMAS-UHFFFAOYSA-N

Product Name

6-Acetylpyridine-2-carboxylic acid ethyl ester

Ethyl 6-acetyl-2-pyridinecarboxylate Specification

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