| CAS Number | 1250999-99-5 |
| Catalog Number | AG00HHYK(AGN-PC-0WG4QS) |
| Chemical Name | 4-(tert-Butoxycarbonyl)-5,6-dihydro-4H-thieno[3,2-b]pyrrole-2-carboxylic acid |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxycarbonyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C12H15NO4S/c1-12(2,3)17-11(16)13-5-4-8-7(13)6-9(18-8)10(14)15/h6H,4-5H2,1-3H3,(H,14,15) |
| InChI Key | OYSQLONLVJUCKH-UHFFFAOYSA-N |
| MDL Number | MFCD14581111 |
| Molecular Formula | C12H15NO4S |
| Molecular Weight | 269.3168 |
| SMILES | O=C(N1CCc2c1cc(s2)C(=O)O)OC(C)(C)C |
| Synonyms | 1250999-99-5,
4-(tert-Butoxycarbonyl)-5,6-dihydro-4H-thieno[3,2-b]pyrrole-2-carboxylic acid,
MFCD14581111,
ZINC95698592,
CS-0038924,
4-(t-Butoxycarbonyl)-5,6-dihydro-4H-thieno[3,2-b]pyrrole-2-carboxylic acid,
4-[(2-Methylpropan-2-yl)oxycarbonyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxylic acid,
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| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.315g/mol |
| Monoisotopic Mass | 269.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number