| CAS Number | 926252-17-7 |
| Catalog Number | AG019WFR |
| Chemical Name | 4-Oxo-4-(4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl)butanoic acid |
| IUPAC Name | 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid |
| InChI | InChI=1S/C11H13NO3S/c13-10(1-2-11(14)15)12-5-3-9-8(7-12)4-6-16-9/h4,6H,1-3,5,7H2,(H,14,15) |
| InChI Key | WSAMPYWVKZAUBK-UHFFFAOYSA-N |
| MDL Number | MFCD09048891 |
| Molecular Formula | C11H13NO3S |
| Molecular Weight | 239.2908 |
| SMILES | OC(CCC(N1CC2=C(SC=C2)CC1)=O)=O |
| Synonyms | 4-oxo-4-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}butanoic acid,
926252-17-7,
CTK7J2740,
AC1Q7555,
ZINC22144464,
AKOS000132505,
MCULE-6512778583,
NE26279,
EN300-51811,
Z744754818,
4-oxo-4-(4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl)butanoic acid,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.289g/mol |
| Monoisotopic Mass | 239.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number