| CAS Number | 23423-91-8 |
| Catalog Number | AG01AHGF(AGN-PC-0WOAQ3) |
| Chemical Name | 5-Methanesulfonylfuran-2-carboxylic acid |
| IUPAC Name | 5-methylsulfonylfuran-2-carboxylic acid |
| InChI | InChI=1S/C6H6O5S/c1-12(9,10)5-3-2-4(11-5)6(7)8/h2-3H,1H3,(H,7,8) |
| InChI Key | ZREDSSGHFVMCQP-UHFFFAOYSA-N |
| MDL Number | MFCD18838683 |
| Molecular Formula | C6H6O5S |
| Molecular Weight | 190.1738 |
| SMILES | O=C(C1=CC=C(S(=O)(C)=O)O1)O |
| Synonyms | 5-methanesulfonylfuran-2-carboxylic acid,
23423-91-8,
SCHEMBL568367,
ZREDSSGHFVMCQP-UHFFFAOYSA-N,
ZINC68589992,
AKOS013200775,
MCULE-8906638787,
NE51579,
5-methanesulfonyl-furan-2-carboxylic acid,
EN300-74675,
Z1278581708,
|
| 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 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number