| CAS Number | 13657-90-4 |
| Catalog Number | AG009GKM(AGN-PC-0JWIVR) |
| Chemical Name | 3-Acetylthiophene-2-carboxylic acid |
| IUPAC Name | 3-acetylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C7H6O3S/c1-4(8)5-2-3-11-6(5)7(9)10/h2-3H,1H3,(H,9,10) |
| InChI Key | QQVIOEXFJFFVID-UHFFFAOYSA-N |
| MDL Number | MFCD01859947 |
| Molecular Formula | C7H6O3S |
| Molecular Weight | 170.1857 |
| SMILES | CC(C1=C(C(O)=O)SC=C1)=O |
| Synonyms | 3-acetylthiophene-2-carboxylic acid,
13657-90-4,
AC1LGCBV,
AI-942/25034380,
SCHEMBL3621051,
CTK5J9822,
DTXSID80356012,
QQVIOEXFJFFVID-UHFFFAOYSA-N,
ZINC334195,
3-Acetyl-2-thiophenecarboxylic acid,
SBB088415,
AKOS006276852,
MCULE-7282562865,
NE58534,
Z1769859554,
CID818927,
2-Thiophenecarboxylic acid, 3-acetyl-,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.182g/mol |
| Monoisotopic Mass | 170.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number