| CAS Number | 408536-00-5 |
| Catalog Number | AG019YZ7(AGN-PC-0WO76I) |
| Chemical Name | 2-Methyl-5-sulfamoylfuran-3-carboxylic acid |
| IUPAC Name | 2-methyl-5-sulfamoylfuran-3-carboxylic acid |
| InChI | InChI=1S/C6H7NO5S/c1-3-4(6(8)9)2-5(12-3)13(7,10)11/h2H,1H3,(H,8,9)(H2,7,10,11) |
| InChI Key | CELQRFDDSWCLGN-UHFFFAOYSA-N |
| MDL Number | MFCD19302200 |
| Molecular Formula | C6H7NO5S |
| Molecular Weight | 205.1885 |
| SMILES | CC1=C(C(O)=O)C=C(S(N)(=O)=O)O1 |
| Synonyms | 2-methyl-5-sulfamoylfuran-3-carboxylic acid,
408536-00-5,
ZINC37631740,
AKOS022506009,
MCULE-4887848755,
NE25140,
Z1374778720,
|
| 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 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number