| CAS Number | 943541-27-3 |
| Catalog Number | AG00II33(AGN-PC-0WRAD9) |
| Chemical Name | Methyl 2-(6-methoxypyridin-3-yl)acetate |
| IUPAC Name | methyl 2-(6-methoxypyridin-3-yl)acetate |
| InChI | InChI=1S/C9H11NO3/c1-12-8-4-3-7(6-10-8)5-9(11)13-2/h3-4,6H,5H2,1-2H3 |
| InChI Key | LYJJNCKUSDHNQR-UHFFFAOYSA-N |
| MDL Number | MFCD26520887 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COc1ccc(cn1)CC(=O)OC |
| Synonyms | methyl 2-(6-methoxypyridin-3-yl)acetate,
943541-27-3,
SCHEMBL2492499,
ZINC97756951,
|
| 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 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number