| CAS Number | 2007920-91-2 |
| Catalog Number | AG01EFN5 |
| Chemical Name | 7-Morpholinothieno[3,2-b]pyridine-3,6-dicarboxylic acid hcl |
| IUPAC Name | 7-morpholin-4-ylthieno[3,2-b]pyridine-3,6-dicarboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H12N2O5S.ClH/c16-12(17)7-5-14-9-8(13(18)19)6-21-11(9)10(7)15-1-3-20-4-2-15;/h5-6H,1-4H2,(H,16,17)(H,18,19);1H |
| InChI Key | IJAFKDYSSFGYSA-UHFFFAOYSA-N |
| MDL Number | MFCD30471964 |
| Molecular Formula | C13H13ClN2O5S |
| Molecular Weight | 344.7707 |
| SMILES | Cl.OC(=O)c1csc2c(N3CCOCC3)c(cnc12)C(O)=O |
| Synonyms | 2007920-91-2,
7-Morpholinothieno[3,2-b]pyridine-3,6-dicarboxylic acid HCl,
7-Morpholinothieno[3,2-b]pyridine-3,6-dicarboxylic acid hydrochloride,
MFCD30471964,
AKOS030628249,
CS-0039405,
Thieno[3,2-b]pyridine-3,6-dicarboxylic acid, 7-(4-morpholinyl)-, hydrochloride (1:1),
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.766g/mol |
| Monoisotopic Mass | 344.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 128A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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