| CAS Number | 1219589-99-7 |
| Catalog Number | AG00HGJD(AGN-PC-0WG4ZF) |
| Chemical Name | 3-Hydroxy-2-methylpropanoic acid, sodium salt |
| IUPAC Name | sodium;3-hydroxy-2-methylpropanoate |
| InChI | InChI=1S/C4H8O3.Na/c1-3(2-5)4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1 |
| InChI Key | RBJZIQZDAZLXEK-UHFFFAOYSA-M |
| MDL Number | MFCD16875405 |
| Molecular Formula | C4H8NaO3 |
| Molecular Weight | 127.0943 |
| SMILES | [Na].O=C(O)C(C)CO |
| Synonyms | Sodium 3-hydroxy-2-methylpropionate,
1219589-99-7,
3-Hydroxy-2-methylpropionic acid sodium salt,
(+/-)-bet.-HIBA-Na,
SCHEMBL1898317,
MFCD16875405,
(+/-)-Sodium bet.-hydroxyisobutyrate,
(+/-)-Sodium beta-hydroxyisobutyrate,
3-Hydroxy-2-methylpropionic acid sodium,
DL-3-Hydroxyisobutyric acid sodium salt,
3-Hydroxy-2-methyl-propionic acid Sodium Salt,
(+/-)-Sodium beta-hydroxyisobutyrate, >=96.0%,
( inverted exclamation markA)-Sodium |A-hydroxyisobutyrate,
|A-Hydroxyisobutyric acid sodium salt,
(+/-)-Sodium beta-hydroxyisobutyrate - 5G 5g,
|
| Complexity | 73.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.087g/mol |
| Monoisotopic Mass | 126.029g/mol |
| Rotatable Bond Count | 2 |
| 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