| CAS Number | 1206969-62-1 |
| Catalog Number | AG00HFM4 |
| Chemical Name | methyl 5-methanesulfonylfuran-2-carboxylate |
| IUPAC Name | methyl 5-methylsulfonylfuran-2-carboxylate |
| InChI | InChI=1S/C7H8O5S/c1-11-7(8)5-3-4-6(12-5)13(2,9)10/h3-4H,1-2H3 |
| InChI Key | QCYIHBHVYVAVIH-UHFFFAOYSA-N |
| MDL Number | MFCD14585449 |
| Molecular Formula | C7H8O5S |
| Molecular Weight | 204.2004 |
| SMILES | CS(=O)(=O)C1=CC=C(O1)C(=O)OC |
| Synonyms | methyl 5-(methylsulfonyl)furan-2-carboxylate,
1206969-62-1,
methyl 5-methanesulfonylfuran-2-carboxylate,
SCHEMBL568296,
QCYIHBHVYVAVIH-UHFFFAOYSA-N,
KM4287,
ZINC40450091,
AKOS033155888,
BP-12025,
5-methanesulfonyl-furan-2-carboxylic acid methyl ester,
Z1195900263,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.196g/mol |
| Monoisotopic Mass | 204.009g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number