| CAS Number | 89520-66-1 |
| Catalog Number | AG01BBLS(AGN-PC-0VP5UK) |
| Chemical Name | Sodium 4-ethylbenzene-1-sulfinate |
| IUPAC Name | sodium;4-ethylbenzenesulfinate |
| InChI | InChI=1S/C8H10O2S.Na/c1-2-7-3-5-8(6-4-7)11(9)10;/h3-6H,2H2,1H3,(H,9,10);/q;+1/p-1 |
| InChI Key | RHQNALOFSJPBIU-UHFFFAOYSA-M |
| MDL Number | MFCD00968193 |
| Molecular Formula | C8H9NaO2S |
| Molecular Weight | 192.2106 |
| SMILES | C(C)C1=CC=C(C=C1)S(=O)[O-].[Na+] |
| Synonyms | Sodium 4-ethylbenzenesulfinate,
sodium 4-ethylbenzene-1-sulfinate,
89520-66-1,
AC1MWAH2,
SCHEMBL7114829,
RHQNALOFSJPBIU-UHFFFAOYSA-M,
AKOS032957936,
4-Ethylbenzenesulfinic acid sodium salt,
CID3696414,
CID6099965,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.208g/mol |
| Monoisotopic Mass | 192.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number