| CAS Number | 910442-09-0 |
| Catalog Number | AG006FJ0(AGN-PC-01LRJG) |
| Chemical Name | 4-methanesulfonyl-5-methylfuran-2-carboxylic acid |
| IUPAC Name | 5-methyl-4-methylsulfonylfuran-2-carboxylic acid |
| InChI | InChI=1S/C7H8O5S/c1-4-6(13(2,10)11)3-5(12-4)7(8)9/h3H,1-2H3,(H,8,9) |
| InChI Key | KEYGKWYTKMSTBO-UHFFFAOYSA-N |
| MDL Number | MFCD08361731 |
| Molecular Formula | C7H8O5S |
| Molecular Weight | 204.2004 |
| SMILES | CC1=C(S(C)(=O)=O)C=C(C(O)=O)O1 |
| Synonyms | 910442-09-0,
5-Methyl-4-(methylsulfonyl)-2-furoic acid,
4-methanesulfonyl-5-methylfuran-2-carboxylic acid,
5-Methyl-4-(methylsulfonyl)furan-2-carboxylic acid,
CTK5G8840,
DTXSID70590766,
ZINC91366444,
AKOS030556685,
4-(Methanesulfonyl)-5-methylfuran-2-carboxylic acid,
Z2678251383,
EC-000.1707,
5-methyl-4-methylsulfonylfuran-2-carboxylic acid,
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| Complexity | 301 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.196g/mol |
| Monoisotopic Mass | 204.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number