| CAS Number | 1388030-73-6 |
| Catalog Number | AG01AMR6 |
| Chemical Name | 3-formyl-1-benzothiophene-5-carboxylic acid |
| IUPAC Name | 3-formyl-1-benzothiophene-5-carboxylic acid |
| InChI | InChI=1S/C10H6O3S/c11-4-7-5-14-9-2-1-6(10(12)13)3-8(7)9/h1-5H,(H,12,13) |
| InChI Key | ULJMUXZWPPTHFC-UHFFFAOYSA-N |
| MDL Number | MFCD22560595 |
| Molecular Formula | C10H6O3S |
| Molecular Weight | 206.2178 |
| SMILES | OC(C1=CC2=C(SC=C2C=O)C=C1)=O |
| Synonyms | 3-Formyl-1-benzothiophene-5-carboxylic acid,
1388030-73-6,
ZINC238663194,
FCH2286084,
EN300-224835,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.215g/mol |
| Monoisotopic Mass | 206.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number