Sodium xylenesulfonate
-
CAS Number 1300-72-7
-
Catalog Number io-13797
-
Classification Salts
-
Molecular Weight 208.2100
-
SMILES CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Na+]
| Size | QTY | Notes | |
|---|---|---|---|
|
|
|
Add |
No description available for this item
| 1 | SODIUM XYLENESULFONATE |
| 2 | 827-93-0 |
| 3 | sodium 3,4-dimethylbenzenesulfonate |
| 4 | Naxonate |
| 5 | Sodium O-xylene-4-sulfonate |
| Molecular Formula | C8H9NaO3S |
|---|---|
| Canonical SMILES | CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Na+] |
| Isomeric SMILES | CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Na+] |
| Molecular Weight | 208.2100 |
| InChIKey | QUCDWLYKDRVKMI-UHFFFAOYSA-M |
| InChI | InChI=1S/C8H10O3S.Na/c1-6-3-4-8(5-7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1 |
| XLogP | 0.0000 |
| ExactMass | 208.0170 |
| MonoisotopicMass | 208.0170 |
| TPSA | 65.6000 |
| Complexity | 245.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 9145 |
| PatentFamilyCount | 2131 |
| LiteratureCount | 21 |
