| CAS Number | 1909325-93-4 |
| Catalog Number | AG01C2HC |
| Chemical Name | 1,4-Benzoxathiin-2-acetic acid, 2,3-dihydro-, 4,4-dioxide |
| IUPAC Name | 2-(4,4-dioxo-2,3-dihydro-1,4λ6-benzoxathiin-2-yl)acetic acid |
| InChI | InChI=1S/C10H10O5S/c11-10(12)5-7-6-16(13,14)9-4-2-1-3-8(9)15-7/h1-4,7H,5-6H2,(H,11,12) |
| InChI Key | QBVWYODOMKPJOK-UHFFFAOYSA-N |
| MDL Number | MFCD29054994 |
| Molecular Formula | C10H10O5S |
| Molecular Weight | 242.2484 |
| SMILES | O1C(CS(C2=C1C=CC=C2)(=O)=O)CC(=O)O |
| Synonyms | 2-(4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiin-2-yl)acetic acid,
1909325-93-4,
AKOS033854705,
Z2293605236,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.245g/mol |
| Monoisotopic Mass | 242.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number