| CAS Number | 1197877-55-6 |
| Catalog Number | AG019X0L(AGN-PC-0WO47G) |
| Chemical Name | 4-Carbamoylthiophene-2-carboxylic acid |
| IUPAC Name | 4-carbamoylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H5NO3S/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H,(H2,7,8)(H,9,10) |
| InChI Key | VKHSGKLHGCKCMQ-UHFFFAOYSA-N |
| MDL Number | MFCD13195928 |
| Molecular Formula | C6H5NO3S |
| Molecular Weight | 171.1738 |
| SMILES | NC(C1C=C(C(O)=O)SC=1)=O |
| Synonyms | 4-carbamoylthiophene-2-carboxylic acid,
1197877-55-6,
CHEMBL3617317,
AC1Q4ZG6,
CTK7D2987,
BDBM50122006,
ZINC38342215,
AKOS026727459,
MCULE-8172864282,
NE31921,
EN300-53709,
AB01000537-01,
Z812517022,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.17g/mol |
| Monoisotopic Mass | 170.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number