| CAS Number | 1864061-56-2 |
| Catalog Number | AG00AM1S(AGN-PC-0WCZ32) |
| Chemical Name | Ethyl 2-methanesulfonylpyridine-4-carboxylate |
| IUPAC Name | ethyl 2-methylsulfonylpyridine-4-carboxylate |
| InChI | InChI=1S/C9H11NO4S/c1-3-14-9(11)7-4-5-10-8(6-7)15(2,12)13/h4-6H,3H2,1-2H3 |
| InChI Key | VQROUAXJTAIPRJ-UHFFFAOYSA-N |
| MDL Number | MFCD29035417 |
| Molecular Formula | C9H11NO4S |
| Molecular Weight | 229.2529 |
| SMILES | O=C(C1=CC(S(=O)(C)=O)=NC=C1)OCC |
| Synonyms | Ethyl 2-(methylsulfonyl)isonicotinate,
1864061-56-2,
AKOS027367821,
ZINC242688499,
CS-0090921,
ETHYL 2-METHANESULFONYLPYRIDINE-4-CARBOXYLATE,
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| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.25g/mol |
| Monoisotopic Mass | 229.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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