| CAS Number | 1170367-33-5 |
| Catalog Number | AG01AG0T(AGN-PC-0WOWMY) |
| Chemical Name | 3-(1H-pyrrol-1-yl)-3-(thiophen-2-yl)propanoic acid |
| IUPAC Name | 3-pyrrol-1-yl-3-thiophen-2-ylpropanoic acid |
| InChI | InChI=1S/C11H11NO2S/c13-11(14)8-9(10-4-3-7-15-10)12-5-1-2-6-12/h1-7,9H,8H2,(H,13,14) |
| InChI Key | FTRSAOIXKNWQMK-UHFFFAOYSA-N |
| MDL Number | MFCD14281277 |
| Molecular Formula | C11H11NO2S |
| Molecular Weight | 221.2755 |
| SMILES | OC(CC(N1C=CC=C1)C1SC=CC=1)=O |
| Synonyms | 3-(1H-pyrrol-1-yl)-3-(thiophen-2-yl)propanoic acid,
1170367-33-5,
BBL036826,
STL408248,
AKOS004911750,
MCULE-3866711945,
NE41040,
Z1742056141,
3-pyrrol-1-yl-3-thiophen-2-ylpropanoic acid,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.274g/mol |
| Monoisotopic Mass | 221.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number