| CAS Number | 1469294-49-2 |
| Catalog Number | AG01EIR8 |
| Chemical Name | methyl 4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxylate |
| IUPAC Name | methyl 4-oxo-3aH-thieno[3,2-c]quinoline-2-carboxylate |
| InChI | InChI=1S/C13H9NO3S/c1-17-13(16)10-6-8-11(18-10)7-4-2-3-5-9(7)14-12(8)15/h2-6,8H,1H3 |
| InChI Key | VPRXXMSSSBHXSG-UHFFFAOYSA-N |
| MDL Number | MFCD31665177 |
| Molecular Formula | C13H9NO3S |
| Molecular Weight | 259.2805 |
| SMILES | COC(C1SC2=C(C(NC3=C2C=CC=C3)=O)C=1)=O |
| Synonyms | methyl 4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxylate,
1469294-49-2,
|
| Complexity | 608 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.279g/mol |
| Monoisotopic Mass | 259.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number