| CAS Number | 1269054-05-8 |
| Catalog Number | AG00HRLO(AGN-PC-0WB67O) |
| Chemical Name | 5-(Pyrrolidin-2-yl)thiophene-2-carboxylic Acid Hydrochloride |
| IUPAC Name | 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO2S.ClH/c11-9(12)8-4-3-7(13-8)6-2-1-5-10-6;/h3-4,6,10H,1-2,5H2,(H,11,12);1H |
| InChI Key | IEANRMCTQVCJQB-UHFFFAOYSA-N |
| MDL Number | MFCD13186026 |
| Molecular Formula | C9H12ClNO2S |
| Molecular Weight | 233.7151 |
| SMILES | Cl.OC(C1SC(C2NCCC2)=CC=1)=O |
| Synonyms | 1269054-05-8,
5-(Pyrrolidin-2-yl)thiophene-2-carboxylic acid hydrochloride,
5-(2-pyrrolidinyl)-2-thiophenecarboxylic acid hydrochloride,
MFCD13186026,
AKOS026726410,
MCULE-3812382794,
T3214,
Z2256160600,
5-Pyrrolidin-2-ylthiophene-2-carboxylic acid hydrochloride,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.71g/mol |
| Monoisotopic Mass | 233.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number