| CAS Number | 1360929-98-1 |
| Catalog Number | AG01C54F |
| Chemical Name | 7-Oxo-6H,7H-thieno[2,3-c]pyridine-2-carboxylic acid |
| IUPAC Name | 7-oxo-6H-thieno[2,3-c]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H5NO3S/c10-7-6-4(1-2-9-7)3-5(13-6)8(11)12/h1-3H,(H,9,10)(H,11,12) |
| InChI Key | RBKKJRSZEGHNKP-UHFFFAOYSA-N |
| MDL Number | MFCD22557256 |
| Molecular Formula | C8H5NO3S |
| Molecular Weight | 195.1952 |
| SMILES | OC(C1SC2=C(C=CNC2=O)C=1)=O |
| Synonyms | 7-oxo-6H,7H-thieno[2,3-c]pyridine-2-carboxylic acid,
1360929-98-1,
AKOS033908047,
ZINC238638718,
Z2429425675,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.192g/mol |
| Monoisotopic Mass | 194.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number