| CAS Number | 1003589-78-3 |
| Catalog Number | AG01DUCL |
| Chemical Name | ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-6-methoxypyridine-3-carboxylate |
| IUPAC Name | ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-6-methoxypyridine-3-carboxylate |
| InChI | InChI=1S/C14H19NO5/c1-5-19-13(16)9(3)12-10(14(17)20-6-2)7-8-11(15-12)18-4/h7-9H,5-6H2,1-4H3 |
| InChI Key | FWOKSSFABOOZSU-UHFFFAOYSA-N |
| MDL Number | MFCD32206443 |
| Molecular Formula | C14H19NO5 |
| Molecular Weight | 281.3044 |
| SMILES | O=C(OCC)C(C)C1=NC(OC)=CC=C1C(OCC)=O |
| Synonyms | 1003589-78-3,
SCHEMBL4015049,
FWOKSSFABOOZSU-UHFFFAOYSA-N,
AS-73132,
Ethyl 2-(2-ethoxy-1-methyl-2-oxoethyl)-6-methoxynicotinate,
ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-6-methoxypyridine-3-carboxylate,
2-Pyridineacetic acid, 3-(ethoxycarbonyl)-6-methoxy-alpha-methyl-, ethyl ester,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.126323g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.3g/mol |
| Monoisotopic Mass | 281.126323g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 74.7Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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