3-Pyridinecarboxylicacid, 4-methyl-, ethyl ester, 1-oxide structure

3-Pyridinecarboxylicacid, 4-methyl-, ethyl ester, 1-oxide

ethyl 4-methyl-1-oxidopyridin-1-ium-3-carboxylate

Also Known As: ethyl 4-methylpyridine-3-carboxylate 1-oxide|ethyl 4-methyl-1-oxidopyridin-1-ium-3-carboxylate|3-(ethoxycarbonyl)-4-methylpyridine 1-oxide|3-Pyridinecarboxylicacid, 4-methyl-, ethyl ester, 1-oxide|Ethyl 4-methyl-1-oxo-1lambda~5~-pyridine-3-carboxylate

CAS: 6344-79-2
Molecular Formula C9H11NO3
Molecular Weight 181.0739 g/mol
LogP 0.4
Topological Polar Surface Area 51.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 181.0739
Monoisotopic Mass 181.0739
Heavy Atoms 13
Complexity 184.0

Chemical Identifiers

CAS Number 6344-79-2
SMILES CCOC(=O)C1=C(C=C[N+](=C1)[O-])C
InChIKey IDDYYPQXSZIAKS-UHFFFAOYSA-N

Product Overview

3-Pyridinecarboxylicacid, 4-methyl-, ethyl ester, 1-oxide (CAS 6344-79-2), with molecular formula C9H11NO3 and molecular weight 181.0739 g/mol. IUPAC: ethyl 4-methyl-1-oxidopyridin-1-ium-3-carboxylate.

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