| CAS Number | 1050885-86-3 |
| Catalog Number | AG019MH0 |
| Chemical Name | methyl 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylate |
| IUPAC Name | methyl 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C12H11NO3S/c1-6-9-4-8(7(2)14)5-13-11(9)17-10(6)12(15)16-3/h4-5H,1-3H3 |
| InChI Key | PIHBPKIULNRLHT-UHFFFAOYSA-N |
| MDL Number | MFCD10686851 |
| Molecular Formula | C12H11NO3S |
| Molecular Weight | 249.2856 |
| SMILES | COC(C1=C(C)C2=C(N=CC(C(C)=O)=C2)S1)=O |
| Synonyms | methyl 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylate,
1050885-86-3,
AC1Q41XU,
CTK6J1513,
ZINC20283354,
AKOS008118864,
MCULE-1973214271,
NE17382,
EN300-36157,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.284g/mol |
| Monoisotopic Mass | 249.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number