4-Pyridinecarboxylicacid, 3-methyl-, ethyl ester supplier

Name
3-METHYLISONICOTINIC ACID ETHYL ESTER
EINECS
CAS No. 58997-11-8
Article Data8
CAS DataBase
Density 1.077 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₂
Boiling Point 239.5 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 98.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isonicotinicacid, 3-methyl-, ethyl ester (6CI,7CI);3-Methylisonicotinic acid ethyl ester;Ethyl 3-methylisonicotinate;
PSA 39.19000
LogP 1.56670

4-Pyridinecarboxylicacid, 3-methyl-, ethyl ester Specification

The 4-Pyridinecarboxylicacid, 3-methyl-, ethyl ester, with the CAS registry number of 58997-11-8, is also known as 3-Methylisonicotinic acid ethyl ester. This chemical's molecular formula is C₉H₁₁NO₂ and molecular weight is 165.19. What's more, its systematic name is called Ethyl 3-methylpyridine-4-carboxylate.

Physical properties about 4-Pyridinecarboxylicacid, 3-methyl-, ethyl ester are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.54; (6)ACD/BCF (pH 7.4): 15.69; (7)ACD/KOC (pH 5.5): 247.3; (8)ACD/KOC (pH 7.4): 249.66; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 45.57 cm³; (15)Molar Volume: 153.3 cm³; (16)Surface Tension: 39.2 dyne/cm; (17)Flash Point: 98.6 °C; (18)Enthalpy of Vaporization: 47.64 kJ/mol; (19)Boiling Point: 239.5 °C at 760 mmHg; (20)Vapour Pressure: 0.04 mmHg at 25 °C; (21)Density: 1.077 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccncc1C
(2) InChI: InChI=1/C9H11NO2/c1-3-12-9(11)8-4-5-10-6-7(8)2/h4-6H,3H2,1-2H3
(3) InChIKey: CRLTUZKJFOBEOB-UHFFFAOYAJ

Product Name

3-METHYLISONICOTINIC ACID ETHYL ESTER

4-Pyridinecarboxylicacid, 3-methyl-, ethyl ester Specification

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