| CAS Number | 74357-22-5 |
| Catalog Number | AG00ICIL(AGN-PC-0WRA9Y) |
| Chemical Name | Methyl 6-ethoxynicotinate |
| IUPAC Name | methyl 6-ethoxypyridine-3-carboxylate |
| InChI | InChI=1S/C9H11NO3/c1-3-13-8-5-4-7(6-10-8)9(11)12-2/h4-6H,3H2,1-2H3 |
| InChI Key | DMANZDRAMOQNCI-UHFFFAOYSA-N |
| MDL Number | MFCD20232398 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CCOc1ccc(cn1)C(=O)OC |
| Synonyms | Methyl 6-ethoxynicotinate,
74357-22-5,
MFCD20232398,
ZINC70453857,
methyl 6-ethoxypyridine-3-carboxylate,
AKOS005363142,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number