| CAS Number | 33148-86-6 |
| Catalog Number | AG007HA4(AGN-PC-0LU5A1) |
| Chemical Name | 5-acetylthiophene-3-carboxylic acid |
| IUPAC Name | 5-acetylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C7H6O3S/c1-4(8)6-2-5(3-11-6)7(9)10/h2-3H,1H3,(H,9,10) |
| InChI Key | GSPVECVNXXJOGI-UHFFFAOYSA-N |
| MDL Number | MFCD07643214 |
| Molecular Formula | C7H6O3S |
| Molecular Weight | 170.1857 |
| SMILES | C1(C(O)=O)=CSC(C(C)=O)=C1 |
| Synonyms | 5-acetylthiophene-3-carboxylic acid,
33148-86-6,
BAS 10144131,
AC1Q1JKM,
AC1O5H54,
SCHEMBL5350815,
CTK4H0033,
DTXSID70424375,
GSPVECVNXXJOGI-UHFFFAOYSA-N,
ZINC4384247,
5-Acetyl-3-thiophenecarboxylic acid,
MFCD07643214,
5-Acetyl-thiophene-3-carboxylic acid,
AKOS000505631,
MCULE-9844789344,
AJ-50951,
EN300-55401,
Y-3157,
Z1171979229,
CID6484122,
5-ACETYLTHIOPHENE-3-CARBOXYLICACID,
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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