| CAS Number | 1909327-68-9 |
| Catalog Number | AG01C5OM |
| Chemical Name | sodium 2-(hydroxymethyl)butanoate |
| IUPAC Name | sodium;2-(hydroxymethyl)butanoate |
| InChI | InChI=1S/C5H10O3.Na/c1-2-4(3-6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1 |
| InChI Key | KSKUIPBJLOSXAS-UHFFFAOYSA-M |
| MDL Number | MFCD29907093 |
| Molecular Formula | C5H9NaO3 |
| Molecular Weight | 140.1129 |
| SMILES | [Na+].CCC(C([O-])=O)CO |
| Synonyms | sodium 2-(hydroxymethyl)butanoate,
1909327-68-9,
SCHEMBL4612400,
AKOS030757996,
Z2467523310,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number