| CAS Number | 4160-19-4 |
| Catalog Number | AG00C6ID(AGN-PC-0RQRZX) |
| Chemical Name | Isopropylsulfinicacid,sodiumsalt |
| IUPAC Name | sodium;propane-2-sulfinate |
| InChI | InChI=1S/C3H8O2S.Na/c1-3(2)6(4)5;/h3H,1-2H3,(H,4,5);/q;+1/p-1 |
| InChI Key | NJOHNUOJMKNMLA-UHFFFAOYSA-M |
| MDL Number | MFCD09878099 |
| Molecular Formula | C3H7NaO2S |
| Molecular Weight | 130.1412 |
| SMILES | CC(S([O-])=O)C.[Na+] |
| Synonyms | sodium propane-2-sulfinate,
4160-19-4,
sodium isopropylsulfinate,
Isopropylsulfinic acid, sodium salt,
sodium isopropanesulfinate,
Sodium 2-propanesulfinate,
C3H7O2S.Na,
Isopropylsulfinicacid,sodiumsalt,
SCHEMBL1940107,
DTXSID90635608,
Isopropylsulfinic acid,sodium salt,
NJOHNUOJMKNMLA-UHFFFAOYSA-M,
2-propanesulfinic acid sodium salt,
isopropyl sulfinic acid sodium salt,
2-propane sulfinic acid sodium salt,
CS-M3052,
4057AH,
AKOS006314827,
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| Complexity | 64 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.137g/mol |
| Monoisotopic Mass | 130.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number