| CAS Number | 24903-80-8 |
| Catalog Number | AG00I4RE |
| Chemical Name | 3-Pyridinecarboxylic acid, 6-ethoxy-, ethyl ester |
| IUPAC Name | ethyl 6-ethoxypyridine-3-carboxylate |
| InChI | InChI=1S/C10H13NO3/c1-3-13-9-6-5-8(7-11-9)10(12)14-4-2/h5-7H,3-4H2,1-2H3 |
| InChI Key | FBQJIRFPCZOBRI-UHFFFAOYSA-N |
| MDL Number | MFCD23378806 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CCOc1ccc(cn1)C(=O)OCC |
| Synonyms | Ethyl 6-ethoxynicotinate,
24903-80-8,
3-Pyridinecarboxylic acid, 6-ethoxy-, ethyl ester,
MFCD23378806,
ZINC34414846,
Ethyl 6-ethoxypyridine-3-carboxylate,
CID10726511,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number