| CAS Number | 955903-90-9 |
| Catalog Number | AG01A555(AGN-PC-0WOVBV) |
| Chemical Name | 4-oxo-3,4-dihydro-2H-1-benzopyran-6-sulfonamide |
| IUPAC Name | 4-oxo-2,3-dihydrochromene-6-sulfonamide |
| InChI | InChI=1S/C9H9NO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-2,5H,3-4H2,(H2,10,12,13) |
| InChI Key | NUJKYUFXSULTMM-UHFFFAOYSA-N |
| MDL Number | MFCD21359821 |
| Molecular Formula | C9H9NO4S |
| Molecular Weight | 227.2371 |
| SMILES | NS(C1=CC2=C(OCCC2=O)C=C1)(=O)=O |
| Synonyms | 4-oxo-3,4-dihydro-2H-1-benzopyran-6-sulfonamide,
955903-90-9,
ZINC9207664,
AKOS026744397,
F2451-0190,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.234g/mol |
| Monoisotopic Mass | 227.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number