| CAS Number | 1520606-32-9 |
| Catalog Number | AG01C5C9 |
| Chemical Name | 5-methanesulfonylfuran-3-carboxylic acid |
| IUPAC Name | 5-methylsulfonylfuran-3-carboxylic acid |
| InChI | InChI=1S/C6H6O5S/c1-12(9,10)5-2-4(3-11-5)6(7)8/h2-3H,1H3,(H,7,8) |
| InChI Key | SLNQKUYTZDEGHA-UHFFFAOYSA-N |
| MDL Number | MFCD29763372 |
| Molecular Formula | C6H6O5S |
| Molecular Weight | 190.1738 |
| SMILES | CS(C1OC=C(C(O)=O)C=1)(=O)=O |
| Synonyms | 5-methanesulfonylfuran-3-carboxylic acid,
1520606-32-9,
ZINC84239199,
AKOS023400790,
Z2465620030,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.169g/mol |
| Monoisotopic Mass | 189.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number