| CAS Number | 256373-94-1 |
| Catalog Number | AG01FGE1(AGN-PC-0N02VV) |
| Chemical Name | 5-Sulfamoyl-furan-3-carboxylic Acid ethyl ester |
| IUPAC Name | ethyl 5-sulfamoylfuran-3-carboxylate |
| InChI | InChI=1S/C7H9NO5S/c1-2-12-7(9)5-3-6(13-4-5)14(8,10)11/h3-4H,2H2,1H3,(H2,8,10,11) |
| InChI Key | GBHAFGOYZSOQFH-UHFFFAOYSA-N |
| MDL Number | MFCD24386139 |
| Molecular Formula | C7H9NO5S |
| Molecular Weight | 219.2151 |
| SMILES | CCOC(=O)C1=COC(=C1)S(=O)(=O)N |
| Synonyms | Ethyl 5-sulfamoylfuran-3-carboxylate,
256373-94-1,
5-Sulfamoyl-furan-3-carboxylic acid ethyl ester,
SCHEMBL18007686,
KS-00003GZY,
MFCD24386139,
ZINC34381196,
AKOS025392394,
AS-5364,
2-Sulfamoylfuran-4-carboxylic acid ethyl ester,
CID10176806,
|
| Complexity | 307 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.211g/mol |
| Monoisotopic Mass | 219.02g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number