| CAS Number | 2108576-19-6 |
| Catalog Number | AG00J2UB |
| Chemical Name | sodium 4-hydroxy-3,3-dimethylbutanoate |
| IUPAC Name | sodium;4-hydroxy-3,3-dimethylbutanoate |
| InChI | InChI=1S/C6H12O3.Na/c1-6(2,4-7)3-5(8)9;/h7H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1 |
| InChI Key | FZGMFSZGFPECGG-UHFFFAOYSA-M |
| MDL Number | MFCD29127443 |
| Molecular Formula | C6H11NaO3 |
| Molecular Weight | 154.1395 |
| SMILES | C([O-])(CC(C)(C)CO)=O.[Na+] |
| Synonyms | Sodium 4-hydroxy-3,3-dimethylbutanoate,
86126-08-1,
ZX-CM010694,
MFCD29127443,
AKOS030255520,
4-Hydroxy-3,3-dimethylbutyric acid sodium salt,
2108576-19-6,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.141g/mol |
| Monoisotopic Mass | 154.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number