| CAS Number | 1376318-99-8 |
| Catalog Number | AG019YK3(AGN-PC-0WOD3Q) |
| Chemical Name | 2-methyl-5-(methylsulfamoyl)furan-3-carboxylic acid |
| IUPAC Name | 2-methyl-5-(methylsulfamoyl)furan-3-carboxylic acid |
| InChI | InChI=1S/C7H9NO5S/c1-4-5(7(9)10)3-6(13-4)14(11,12)8-2/h3,8H,1-2H3,(H,9,10) |
| InChI Key | HOHGKXZYYMNXNC-UHFFFAOYSA-N |
| MDL Number | MFCD22196431 |
| Molecular Formula | C7H9NO5S |
| Molecular Weight | 219.2151 |
| SMILES | CNS(C1OC(C)=C(C(O)=O)C=1)(=O)=O |
| Synonyms | 2-methyl-5-(methylsulfamoyl)furan-3-carboxylic acid,
1376318-99-8,
ZINC72314398,
AKOS026730314,
MCULE-4758596621,
NE28042,
Z1359429591,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.211g/mol |
| Monoisotopic Mass | 219.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number