| CAS Number | 1337880-68-8 |
| Catalog Number | AG009E07(AGN-PC-03NUEZ) |
| Chemical Name | Thieno[2,3-c]pyridine-3-carboxylic acid |
| IUPAC Name | thieno[2,3-c]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H5NO2S/c10-8(11)6-4-12-7-3-9-2-1-5(6)7/h1-4H,(H,10,11) |
| InChI Key | NSGLBRSUDBAIIA-UHFFFAOYSA-N |
| MDL Number | MFCD22377490 |
| Molecular Formula | C8H5NO2S |
| Molecular Weight | 179.1958 |
| SMILES | O=C(C1=CSC2=C1C=CN=C2)O |
| Synonyms | thieno[2,3-c]pyridine-3-carboxylic acid,
1337880-68-8,
SCHEMBL351737,
MFCD22377490,
ZINC95616389,
AKOS027425134,
F0001-3758,
thieno[2,3-c]pyridine-3-carboxylic acid, 95% - 1G 1g,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.193g/mol |
| Monoisotopic Mass | 179.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number