| CAS Number | 919036-50-3 |
| Catalog Number | AG01BS5P(AGN-PC-0WC8C8) |
| Chemical Name | 6-formyl-2,4-dimethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
| IUPAC Name | 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid |
| InChI | InChI=1S/C10H9NO3S/c1-5-3-7-9(15-5)6(4-12)8(10(13)14)11(7)2/h3-4H,1-2H3,(H,13,14) |
| InChI Key | UGFVUPMCZFWRGG-UHFFFAOYSA-N |
| MDL Number | MFCD09039901 |
| Molecular Formula | C10H9NO3S |
| Molecular Weight | 223.2484 |
| SMILES | CC1SC2=C(N(C(=C2C=O)C(O)=O)C)C=1 |
| Synonyms | 6-Formyl-2,4-dimethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid,
919036-50-3,
ZINC13999066,
AKOS000782941,
MCULE-4576740702,
BB 0262129,
6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.246g/mol |
| Monoisotopic Mass | 223.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number