| CAS Number | 197311-76-5 |
| Catalog Number | AG00AQJS(AGN-PC-0WRA3K) |
| Chemical Name | Sodium (2-cyanophenyl)methanesulfonate |
| IUPAC Name | sodium;(2-cyanophenyl)methanesulfonate |
| InChI | InChI=1S/C8H7NO3S.Na/c9-5-7-3-1-2-4-8(7)6-13(10,11)12;/h1-4H,6H2,(H,10,11,12);/q;+1/p-1 |
| InChI Key | GEDNNRCEBYWLKO-UHFFFAOYSA-M |
| MDL Number | MFCD00024991 |
| Molecular Formula | C8H6NNaO3S |
| Molecular Weight | 219.1929 |
| SMILES | N#Cc1ccccc1CS(=O)(=O)[O-].[Na+] |
| Synonyms | sodium (2-cyanophenyl)methanesulfonate,
197311-76-5,
AC1Q1VIL,
C8H6NO3S.Na,
AKOS024334248,
V4104,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.19g/mol |
| Monoisotopic Mass | 218.997g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number