| CAS Number | 107975-82-6 |
| Catalog Number | AG01EMCC(AGN-PC-0OXWXD) |
| Chemical Name | sodium 4-hydroxy-2-methylbutanoate |
| IUPAC Name | sodium;4-hydroxy-2-methylbutanoate |
| InChI | InChI=1S/C5H10O3.Na/c1-4(2-3-6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1 |
| InChI Key | PLTXIYNOGPMDEO-UHFFFAOYSA-M |
| MDL Number | MFCD31666085 |
| Molecular Formula | C5H9NaO3 |
| Molecular Weight | 140.1129 |
| SMILES | [Na+].CC(C([O-])=O)CCO |
| Synonyms | SCHEMBL9838014,
sodium 4-hydroxy-2-methylbutanoate,
107975-82-6,
|
| Complexity | 84.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.114g/mol |
| Monoisotopic Mass | 140.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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