| CAS Number | 6950-57-8 |
| Catalog Number | AG01BDM6(AGN-PC-0TVYR8) |
| Chemical Name | Sodium 1-hydroxy-2-phenylethane-1-sulfonate |
| IUPAC Name | sodium;1-hydroxy-2-phenylethanesulfonate |
| InChI | InChI=1S/C8H10O4S.Na/c9-8(13(10,11)12)6-7-4-2-1-3-5-7;/h1-5,8-9H,6H2,(H,10,11,12);/q;+1/p-1 |
| InChI Key | QIBUJUVMHPDPGS-UHFFFAOYSA-M |
| MDL Number | MFCD28023768 |
| Molecular Formula | C8H9NaO4S |
| Molecular Weight | 224.2094 |
| SMILES | [Na+].OC(S([O-])(=O)=O)CC1=CC=CC=C1 |
| Synonyms | sodium 1-hydroxy-2-phenylethane-1-sulfonate,
6950-57-8,
SCHEMBL11204311,
QIBUJUVMHPDPGS-UHFFFAOYSA-M,
AKOS026348207,
sodium alpha-hydroxybenzeneethanesulfonate,
Z1849014858,
CID10489310,
Sodium 1-hydroxy-2-phenyl-ethanesulfonate,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.206g/mol |
| Monoisotopic Mass | 224.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number