| CAS Number | 1989659-93-9 |
| Catalog Number | AG01B6C4 |
| Chemical Name | Methyl 3-methyl-5-sulfamoylfuran-2-carboxylate |
| IUPAC Name | methyl 3-methyl-5-sulfamoylfuran-2-carboxylate |
| InChI | InChI=1S/C7H9NO5S/c1-4-3-5(14(8,10)11)13-6(4)7(9)12-2/h3H,1-2H3,(H2,8,10,11) |
| InChI Key | XUBBCSXLRVEWMQ-UHFFFAOYSA-N |
| MDL Number | MFCD30342797 |
| Molecular Formula | C7H9NO5S |
| Molecular Weight | 219.2151 |
| SMILES | COC(C1=C(C)C=C(S(N)(=O)=O)O1)=O |
| Synonyms | methyl 3-methyl-5-sulfamoylfuran-2-carboxylate,
1989659-93-9,
AKOS033948831,
ZINC521398668,
Z2583036364,
|
| Complexity | 320 |
| 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 | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number