| CAS Number | 19156-56-0 |
| Catalog Number | AG01AJDW(AGN-PC-0A9ZJG) |
| Chemical Name | 2,3-Dihydrobenzo[b]thiophene-3-carboxylic acid |
| IUPAC Name | 2,3-dihydro-1-benzothiophene-3-carboxylic acid |
| InChI | InChI=1S/C9H8O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H,10,11) |
| InChI Key | FDHVMZWQPQMDSU-UHFFFAOYSA-N |
| MDL Number | MFCD19382244 |
| Molecular Formula | C9H8O2S |
| Molecular Weight | 180.2236 |
| SMILES | OC(C1C2=C(C=CC=C2)SC1)=O |
| Synonyms | 2,3-dihydro-1-benzothiophene-3-carboxylic acid,
19156-56-0,
2,3-Dihydrobenzo[b]thiophene-3-carboxylic acid,
AKOS023400892,
MCULE-8983599489,
NE23278,
EN300-80468,
Z1270387229,
2,3-Dihydro-benzo[b]thiophene-3-carboxylic acid,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.221g/mol |
| Monoisotopic Mass | 180.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number