| CAS Number | 57408-46-5 |
| Catalog Number | AG00EUJZ(AGN-PC-0N8P7K) |
| Chemical Name | Ethyl 3-methylpyridine-4-acetate |
| IUPAC Name | ethyl 2-(3-methylpyridin-4-yl)acetate |
| InChI | InChI=1S/C10H13NO2/c1-3-13-10(12)6-9-4-5-11-7-8(9)2/h4-5,7H,3,6H2,1-2H3 |
| InChI Key | PSUZFMFLEQJKEU-UHFFFAOYSA-N |
| MDL Number | MFCD21609053 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | O=C(OCC)CC1=C(C)C=NC=C1 |
| Synonyms | 57408-46-5,
Ethyl 2-(3-methylpyridin-4-yl)acetate,
ETHYL 3-METHYLPYRIDINE-4-ACETATE,
3-methyl-4-pyridineacetic acid ethyl ester,
SCHEMBL8580162,
CTK5A6817,
DTXSID40443351,
Ethyl (3-methylpyridin-4-yl)acetate,
ZINC39168525,
AKOS015622979,
NE57921,
4-Pyridineacetic acid-3-methyl ethyl ester,
CID10678912,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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