| CAS Number | 1087784-71-1 |
| Catalog Number | AG019N6N(AGN-PC-0WOD74) |
| Chemical Name | 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid |
| IUPAC Name | 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid |
| InChI | InChI=1S/C7H9NO5S/c1-3-5(7(9)10)6(4(2)13-3)14(8,11)12/h1-2H3,(H,9,10)(H2,8,11,12) |
| InChI Key | YPWRJNLSEWKOGW-UHFFFAOYSA-N |
| MDL Number | MFCD11505466 |
| Molecular Formula | C7H9NO5S |
| Molecular Weight | 219.2151 |
| SMILES | CC1=C(C(O)=O)C(S(N)(=O)=O)=C(C)O1 |
| Synonyms | 2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid,
1087784-71-1,
4-(aminosulfonyl)-2,5-dimethyl-3-furoic acid,
AC1Q2DJJ,
CTK7I6211,
ZINC32627677,
AKOS009315997,
MCULE-8538915154,
EN300-39529,
AB00996676-01,
Z398513652,
|
| Complexity | 333 |
| 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 | 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