| CAS Number | 1426958-31-7 |
| Catalog Number | AG009X50(AGN-PC-0WADSR) |
| Chemical Name | Methyl 2-Methanesulfonylpyridine-3-carboxylate |
| IUPAC Name | methyl 2-methylsulfonylpyridine-3-carboxylate |
| InChI | InChI=1S/C8H9NO4S/c1-13-8(10)6-4-3-5-9-7(6)14(2,11)12/h3-5H,1-2H3 |
| InChI Key | LWVPISQOAGDDCM-UHFFFAOYSA-N |
| MDL Number | MFCD23699508 |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.2264 |
| SMILES | COC(=O)c1cccnc1S(=O)(=O)C |
| Synonyms | Methyl 2-methanesulfonylpyridine-3-carboxylate,
1426958-31-7,
Methyl 2-(methylsulfonyl)nicotinate,
KM4004,
ZINC95218044,
CS-0080844,
V3212,
METHYL 2-(METHYLSULFONYL)-3-PYRIDINECARBOXYLATE,
Methyl 2-(methylsulfonyl)-3-pyridinecarboxylate, AldrichCPR,
C8H9NO4S,
N/A,
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| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.223g/mol |
| Monoisotopic Mass | 215.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number