| CAS Number | 1096308-28-9 |
| Catalog Number | AG01AFD3(AGN-PC-0WOWKS) |
| Chemical Name | 4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C10H9NO2S/c1-6-2-3-9(14-6)7-4-11-5-8(7)10(12)13/h2-5,11H,1H3,(H,12,13) |
| InChI Key | SKSCFSYWRYCRKN-UHFFFAOYSA-N |
| MDL Number | MFCD11641424 |
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.2490 |
| SMILES | CC1SC(C2C(C(O)=O)=CNC=2)=CC=1 |
| Synonyms | 4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylic acid,
1096308-28-9,
ZINC37245332,
AKOS009459626,
NE29043,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.247g/mol |
| Monoisotopic Mass | 207.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number