| CAS Number | 7132-40-3 |
| Catalog Number | AG01C2IF(AGN-PC-0A1DHS) |
| Chemical Name | 5-methanesulfonylfuran-2-carbaldehyde |
| IUPAC Name | 5-methylsulfonylfuran-2-carbaldehyde |
| InChI | InChI=1S/C6H6O4S/c1-11(8,9)6-3-2-5(4-7)10-6/h2-4H,1H3 |
| InChI Key | KATWEGNKOJBEPF-UHFFFAOYSA-N |
| MDL Number | MFCD15144239 |
| Molecular Formula | C6H6O4S |
| Molecular Weight | 174.1744 |
| SMILES | CS(C1OC(C=O)=CC=1)(=O)=O |
| Synonyms | 5-methanesulfonylfuran-2-carbaldehyde,
7132-40-3,
5-methanesulfonyl-furan-2-carbaldehyde,
SCHEMBL5089061,
ZINC141200368,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.17g/mol |
| Monoisotopic Mass | 173.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number