| CAS Number | 51793-64-7 |
| Catalog Number | AG01BC8N(AGN-PC-0SB9QA) |
| Chemical Name | Sodium phenylmethanesulfinate |
| IUPAC Name | sodium;phenylmethanesulfinate |
| InChI | InChI=1S/C7H8O2S.Na/c8-10(9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,8,9);/q;+1/p-1 |
| InChI Key | KQJWHIKPAMMQFZ-UHFFFAOYSA-M |
| MDL Number | MFCD24113288 |
| Molecular Formula | C7H7NaO2S |
| Molecular Weight | 178.1841 |
| SMILES | [Na+].[O-]S(CC1=CC=CC=C1)=O |
| Synonyms | Sodium phenylmethanesulfinate,
51793-64-7,
SCHEMBL1865910,
Benzenemethanesulfinic acid sodium salt,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.181g/mol |
| Monoisotopic Mass | 178.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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