| CAS Number | 1221448-81-2 |
| Catalog Number | AG01BETT(AGN-PC-0WOLNN) |
| Chemical Name | 7-Hydroxy-1-benzothiophene-5-carboxylic acid |
| IUPAC Name | 7-hydroxy-1-benzothiophene-5-carboxylic acid |
| InChI | InChI=1S/C9H6O3S/c10-7-4-6(9(11)12)3-5-1-2-13-8(5)7/h1-4,10H,(H,11,12) |
| InChI Key | NEGUYZPTEJBCNN-UHFFFAOYSA-N |
| MDL Number | MFCD20661131 |
| Molecular Formula | C9H6O3S |
| Molecular Weight | 194.2071 |
| SMILES | OC(C1=CC2=C(SC=C2)C(O)=C1)=O |
| Synonyms | 7-hydroxy-1-benzothiophene-5-carboxylic acid,
1221448-81-2,
7-Hydroxybenzo[b]thiophene-5-carboxylic acid,
SCHEMBL1983341,
NEGUYZPTEJBCNN-UHFFFAOYSA-N,
ZINC98095830,
AKOS024206572,
NE44776,
Benzo[b]thiophene-5-carboxylic acid, 7-hydroxy-,
Z2510258242,
|
| 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