| CAS Number | 1226797-99-4 |
| Catalog Number | AG00HGVR(AGN-PC-0WG3YX) |
| Chemical Name | Sodium (3-methylphenyl)methanesulfonate |
| IUPAC Name | sodium;(3-methylphenyl)methanesulfonate |
| InChI | InChI=1S/C8H10O3S.Na/c1-7-3-2-4-8(5-7)6-12(9,10)11;/h2-5H,6H2,1H3,(H,9,10,11);/q;+1/p-1 |
| InChI Key | AQAMPWVXFRSBIP-UHFFFAOYSA-M |
| MDL Number | MFCD17010716 |
| Molecular Formula | C8H9NaO3S |
| Molecular Weight | 208.21 |
| SMILES | Cc1cccc(c1)CS(=O)(=O)[O-].[Na+] |
| Synonyms | SODIUM (3-METHYLPHENYL)METHANESULFONATE,
Sodium m-tolylmethanesulfonate,
1226797-99-4,
MFCD17010716,
AKOS000365694,
AM805964,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.207g/mol |
| Monoisotopic Mass | 208.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number