| CAS Number | 88105-23-1 |
| Catalog Number | AG004G31(AGN-PC-00L721) |
| Chemical Name | 4-Acetylthiophene-2-Carboxylic Acid |
| IUPAC Name | 4-acetylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C7H6O3S/c1-4(8)5-2-6(7(9)10)11-3-5/h2-3H,1H3,(H,9,10) |
| InChI Key | XYGMOSFVNZUTEK-UHFFFAOYSA-N |
| MDL Number | MFCD17977026 |
| Molecular Formula | C7H6O3S |
| Molecular Weight | 170.1857 |
| SMILES | O=C(C1=CC(C(C)=O)=CS1)O |
| Synonyms | 4-acetylthiophene-2-carboxylic acid,
88105-23-1,
4-Acetylthiophene-2-carboxylicacid,
2-Thiophenecarboxylic acid, 4-acetyl-,
AC1Q1JZW,
SCHEMBL5357129,
CTK3B7841,
DTXSID80522896,
XYGMOSFVNZUTEK-UHFFFAOYSA-N,
4-acetyl-2-thiophenecarboxylic acid,
ZINC39410195,
4-acetyl-2-thio-phenecarboxylic acid,
AKOS022638049,
MCULE-7723007766,
NE16234,
SC-67937,
EN300-70077,
Z1171978789,
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| 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
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Certificate of Analysis
Lot Number