| CAS Number | 88770-21-2 |
| Catalog Number | AG01B9MM(AGN-PC-0OLXQ6) |
| Chemical Name | methyl 5-acetylthiophene-3-carboxylate |
| IUPAC Name | methyl 5-acetylthiophene-3-carboxylate |
| InChI | InChI=1S/C8H8O3S/c1-5(9)7-3-6(4-12-7)8(10)11-2/h3-4H,1-2H3 |
| InChI Key | BAMXDNRTNCZDKJ-UHFFFAOYSA-N |
| MDL Number | MFCD28397410 |
| Molecular Formula | C8H8O3S |
| Molecular Weight | 184.2123 |
| SMILES | COC(C1C=C(C(C)=O)SC=1)=O |
| Synonyms | methyl 5-acetylthiophene-3-carboxylate,
88770-21-2,
SCHEMBL15933864,
AKOS033751083,
ZINC215648850,
Z2044768740,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.209g/mol |
| Monoisotopic Mass | 184.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number