| CAS Number | 33880-31-8 |
| Catalog Number | AG01AF0D(AGN-PC-0O92YU) |
| Chemical Name | 4-hydroxy-1-benzothiophene-6-carboxylic acid |
| IUPAC Name | 4-hydroxy-1-benzothiophene-6-carboxylic acid |
| InChI | InChI=1S/C9H6O3S/c10-7-3-5(9(11)12)4-8-6(7)1-2-13-8/h1-4,10H,(H,11,12) |
| InChI Key | BHLSCQWDKXVESZ-UHFFFAOYSA-N |
| MDL Number | MFCD18838189 |
| Molecular Formula | C9H6O3S |
| Molecular Weight | 194.2071 |
| SMILES | OC(C1=CC2=C(C=CS2)C(O)=C1)=O |
| Synonyms | 4-hydroxy-1-benzothiophene-6-carboxylic acid,
33880-31-8,
4-Hydroxybenzo[b]thiophene-6-carboxylic acid,
ZINC72228328,
AKOS022667168,
FCH1010717,
NE47212,
EN300-151488,
Benzo[b]thiophene-6-carboxylic acid, 4-hydroxy-,
Z1889997504,
4-Hydroxy-benzo[b]thiophene-6-carboxylic acid,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.204g/mol |
| Monoisotopic Mass | 194.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number