| CAS Number | 74925-37-4 |
| Catalog Number | AG01DKW1(AGN-PC-0JPEVR) |
| Chemical Name | ETHYL 6-METHOXYNICOTINATE |
| IUPAC Name | ethyl 6-methoxypyridine-3-carboxylate |
| InChI | InChI=1S/C9H11NO3/c1-3-13-9(11)7-4-5-8(12-2)10-6-7/h4-6H,3H2,1-2H3 |
| InChI Key | SFGDMSHXYHMQKV-UHFFFAOYSA-N |
| MDL Number | MFCD06204771 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| NSC Number | 165485 |
| SMILES | CCOC(=O)c1ccc(nc1)OC |
| Synonyms | Ethyl 6-methoxynicotinate,
ethyl 6-methoxypyridine-3-carboxylate,
74925-37-4,
NSC165485,
AC1L6P3V,
SCHEMBL10972399,
DTXSID90304347,
ZINC1644943,
AKOS006228848,
NSC-165485,
SC-39898,
InChI=1/C9H11NO3/c1-3-13-9(11)7-4-5-8(12-2)10-6-7/h4-6H,3H2,1-2H,
CID295868,
|
| 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
Certificate of Analysis
Lot Number