| CAS Number | 1276647-94-9 |
| Catalog Number | AG01BDUZ |
| Chemical Name | sodium 3,4-dimethylbenzene-1-sulfinate |
| IUPAC Name | sodium;3,4-dimethylbenzenesulfinate |
| InChI | InChI=1S/C8H10O2S.Na/c1-6-3-4-8(11(9)10)5-7(6)2;/h3-5H,1-2H3,(H,9,10);/q;+1/p-1 |
| InChI Key | ZNWJXJSZYBZSMD-UHFFFAOYSA-M |
| MDL Number | MFCD24113282 |
| Molecular Formula | C8H9NaO2S |
| Molecular Weight | 192.2106 |
| SMILES | [Na+].CC1=C(C)C=C(S([O-])=O)C=C1 |
| Synonyms | sodium 3,4-dimethylbenzene-1-sulfinate,
1276647-94-9,
SCHEMBL11672586,
NE27053,
Z1860991902,
|
| Complexity | 163 |
| 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 | 1 |
| 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