| CAS Number | 364747-44-4 |
| Catalog Number | AG019MJU(AGN-PC-0WOC4Q) |
| Chemical Name | 5-(dimethylsulfamoyl)furan-2-carboxylic acid |
| IUPAC Name | 5-(dimethylsulfamoyl)furan-2-carboxylic acid |
| InChI | InChI=1S/C7H9NO5S/c1-8(2)14(11,12)6-4-3-5(13-6)7(9)10/h3-4H,1-2H3,(H,9,10) |
| InChI Key | YNURVCAXNLHGKX-UHFFFAOYSA-N |
| MDL Number | MFCD16075789 |
| Molecular Formula | C7H9NO5S |
| Molecular Weight | 219.2151 |
| SMILES | CN(S(C1OC(C(O)=O)=CC=1)(=O)=O)C |
| Synonyms | 5-(dimethylsulfamoyl)furan-2-carboxylic acid,
364747-44-4,
5-[(dimethylamino)sulfonyl]-2-furoic acid,
AC1MXYGH,
AC1Q3X1J,
Oprea1_428670,
CTK6I1280,
ZINC180475,
STK100586,
AKOS005396373,
MCULE-9232151927,
NE59143,
ST50925754,
EN300-36406,
SR-01000474328,
5-[(dimethylamino)sulfonyl]furan-2-carboxylic acid,
SR-01000474328-1,
F0915-4067,
Z367678754,
CID3823388,
|
| Complexity | 318 |
| 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 | 3 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number