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CAS No.: | 114578-70-0 |
---|---|
Name: | 6-Acetylpyridine-2-carboxylic acid ethyl ester |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H11NO3 |
Molecular Weight: | 193.202 |
Synonyms: | Ethyl6-acetylpicolinate;Ethyl 6-acetylpyridine-2-carboxylate; |
Density: | 1.146 g/cm3 |
Melting Point: | 50.0-51.5 °C |
Boiling Point: | 329.615 °C at 760 mmHg |
Flash Point: | 153.146 °C |
PSA: | 56.26000 |
LogP: | 1.46090 |
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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 C10H11NO3 and 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