| CAS Number | 1565845-66-0 |
| Catalog Number | AG00IWZP(AGN-PC-0WB0SN) |
| Chemical Name | 6-methanesulfonyl-5-methylpyridine-3-carbaldehyde |
| IUPAC Name | 5-methyl-6-methylsulfonylpyridine-3-carbaldehyde |
| InChI | InChI=1S/C8H9NO3S/c1-6-3-7(5-10)4-9-8(6)13(2,11)12/h3-5H,1-2H3 |
| InChI Key | KAMDHZYOTAFXBE-UHFFFAOYSA-N |
| MDL Number | MFCD26523304 |
| Molecular Formula | C8H9NO3S |
| Molecular Weight | 199.227 |
| SMILES | S(=O)(=O)(C1(=NC=C(C=O)C=C1C))C |
| Synonyms | 1565845-66-0,
6-methanesulfonyl-5-methylpyridine-3-carbaldehyde,
5-Methyl-6-(methylsulfonyl)nicotinaldehyde,
KS-000027KV,
ZINC95836492,
AKOS025393398,
FCH2432708,
LH-0715,
OR310315,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.224g/mol |
| Monoisotopic Mass | 199.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number