| CAS Number | 105508-53-0 |
| Catalog Number | AG01ALQX(AGN-PC-0OUU12) |
| Chemical Name | 2-(2-Methoxy-2-oxoethyl)thiophene-3-carboxylic acid |
| IUPAC Name | 2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid |
| InChI | InChI=1S/C8H8O4S/c1-12-7(9)4-6-5(8(10)11)2-3-13-6/h2-3H,4H2,1H3,(H,10,11) |
| InChI Key | FZAIXCNBBGNPOF-UHFFFAOYSA-N |
| MDL Number | MFCD19322345 |
| Molecular Formula | C8H8O4S |
| Molecular Weight | 200.2117 |
| SMILES | COC(CC1=C(C(O)=O)C=CS1)=O |
| Synonyms | 2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid,
105508-53-0,
ZINC75601490,
AKOS022646381,
2-(2-Methoxy-2-oxoethyl)-3-thiophenecarboxylic acid,
Z2217033018,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.208g/mol |
| Monoisotopic Mass | 200.014g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number