| CAS Number | 50827-54-8 |
| Catalog Number | AG00DKLU(AGN-PC-0S9815) |
| Chemical Name | Sodium 2,4,6-trimethylbenzenesulfinate |
| IUPAC Name | sodium;2,4,6-trimethylbenzenesulfinate |
| InChI | InChI=1S/C9H12O2S.Na/c1-6-4-7(2)9(12(10)11)8(3)5-6;/h4-5H,1-3H3,(H,10,11);/q;+1/p-1 |
| InChI Key | GRBCNEIBDFNEES-UHFFFAOYSA-M |
| MDL Number | MFCD11618071 |
| Molecular Formula | C9H11NaO2S |
| Molecular Weight | 206.2372 |
| SMILES | Cc1cc(C)cc(c1S(=O)[O-])C.[Na+] |
| Synonyms | Sodium 2,4,6-trimethylbenzenesulfinate,
50827-54-8,
2,4,6-Trimethylbenzenesulfinic acid sodium salt,
C9H11O2S.Na,
SCHEMBL1023385,
MFCD11618071,
V6289,
K-9382,
CID11390122,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.235g/mol |
| Monoisotopic Mass | 206.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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