Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Pyridinecarboxylicacid, 3-methyl-, ethyl ester |
EINECS | N/A |
CAS No. | 58997-11-8 | Density | 1.077 g/cm3 |
PSA | 39.19000 | LogP | 1.56670 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H11NO2 | Boiling Point | 239.5 °C at 760 mmHg |
Molecular Weight | 165.192 | Flash Point | 98.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Isonicotinicacid, 3-methyl-, ethyl ester (6CI,7CI);3-Methylisonicotinic acid ethyl ester;Ethyl 3-methylisonicotinate; |
Article Data | 8 |
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