| CAS Number | 1514973-39-7 |
| Catalog Number | AG01BH82 |
| Chemical Name | Sodium 2,3-dihydro-1,4-benzodioxine-6-sulfinate |
| IUPAC Name | sodium;2,3-dihydro-1,4-benzodioxine-6-sulfinate |
| InChI | InChI=1S/C8H8O4S.Na/c9-13(10)6-1-2-7-8(5-6)12-4-3-11-7;/h1-2,5H,3-4H2,(H,9,10);/q;+1/p-1 |
| InChI Key | TWFWRRBPKRKKDV-UHFFFAOYSA-M |
| MDL Number | MFCD24113278 |
| Molecular Formula | C8H7NaO4S |
| Molecular Weight | 222.1936 |
| SMILES | C1COC2=C(O1)C=CC(=C2)S(=O)[O-].[Na+] |
| Synonyms | sodium 2,3-dihydro-1,4-benzodioxine-6-sulfinate,
1514973-39-7,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.19g/mol |
| Monoisotopic Mass | 221.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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