| CAS Number | 1369351-45-0 |
| Catalog Number | AG01B2NQ |
| Chemical Name | 5-[(Tert-butoxy)carbonyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C12H15NO4S/c1-12(2,3)17-11(16)13-5-7-4-8(10(14)15)18-9(7)6-13/h4H,5-6H2,1-3H3,(H,14,15) |
| InChI Key | RGOGFBDIGFXKST-UHFFFAOYSA-N |
| MDL Number | MFCD22033110 |
| Molecular Formula | C12H15NO4S |
| Molecular Weight | 269.3168 |
| SMILES | O=C(C(S1)=CC2=C1CN(C(OC(C)(C)C)=O)C2)O |
| Synonyms | 5-[(tert-butoxy)carbonyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid,
1369351-45-0,
ZINC96946000,
AKOS022674868,
Z2515207626,
|
| 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 | 1.8 |
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Certificate of Analysis
Lot Number