| CAS Number | 111243-34-6 |
| Catalog Number | AG01BBJJ(AGN-PC-0P1SX9) |
| Chemical Name | Sodium 4-ethoxybenzene-1-sulfinate |
| IUPAC Name | sodium;4-ethoxybenzenesulfinate |
| InChI | InChI=1S/C8H10O3S.Na/c1-2-11-7-3-5-8(6-4-7)12(9)10;/h3-6H,2H2,1H3,(H,9,10);/q;+1/p-1 |
| InChI Key | XYGOMTHGRTVVRQ-UHFFFAOYSA-M |
| MDL Number | MFCD24113276 |
| Molecular Formula | C8H9NaO3S |
| Molecular Weight | 208.2100 |
| SMILES | C(C)OC1=CC=C(C=C1)S(=O)[O-].[Na+] |
| Synonyms | sodium 4-ethoxybenzene-1-sulfinate,
111243-34-6,
AKOS030757277,
Z2111525259,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.207g/mol |
| Monoisotopic Mass | 208.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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