| CAS Number | 1989671-59-1 |
| Catalog Number | AG01B6C5 |
| Chemical Name | 3-Methyl-5-sulfamoylfuran-2-carboxylic acid |
| IUPAC Name | 3-methyl-5-sulfamoylfuran-2-carboxylic acid |
| InChI | InChI=1S/C6H7NO5S/c1-3-2-4(13(7,10)11)12-5(3)6(8)9/h2H,1H3,(H,8,9)(H2,7,10,11) |
| InChI Key | MKJAUWJEPWSIGK-UHFFFAOYSA-N |
| MDL Number | MFCD30342798 |
| Molecular Formula | C6H7NO5S |
| Molecular Weight | 205.1885 |
| SMILES | CC1=C(C(O)=O)OC(S(N)(=O)=O)=C1 |
| Synonyms | 3-methyl-5-sulfamoylfuran-2-carboxylic acid,
1989671-59-1,
AKOS033947777,
ZINC521398321,
Z2582143693,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.184g/mol |
| Monoisotopic Mass | 205.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number