| CAS Number | 1052520-71-4 |
| Catalog Number | AG01ELF0(AGN-PC-0WBE88) |
| Chemical Name | 4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylic acid hydrochloride |
| IUPAC Name | 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H9NO2S.ClH/c10-8(11)6-4-12-7-3-9-2-1-5(6)7;/h4,9H,1-3H2,(H,10,11);1H |
| InChI Key | QGRRULXVGYKGMK-UHFFFAOYSA-N |
| MDL Number | MFCD09871789 |
| Molecular Formula | C8H10ClNO2S |
| Molecular Weight | 219.6885 |
| SMILES | Cl.S1C=C(C2=C1CNCC2)C(=O)O |
| Synonyms | 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid hydrochloride,
1052520-71-4,
AC1O6F1X,
AKOS000425420,
MCULE-2754172213,
F2147-5420,
4H,5H,6H,7H-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE,
CID6473710,
7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylic Acid Hydrochloride,
924871-17-0,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.683g/mol |
| Monoisotopic Mass | 219.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number