Sodium 3-Hydroxy-2-methylpropanoate
Catalog: |
BB057826 |
Product Name: |
Sodium 3-Hydroxy-2-methylpropanoate |
Synonyms: |
3-HIB; sodium; 3-hydroxy-2-methylpropanoate; 3-Hydroxy-2-methylpropionic acid sodium; 3-Hydroxyisobutyrate (sodium salt); Sodium 3-hydroxy-2-methylpropionate; 3HIB; 3-Hydroxy-2-methylpropionic acid sodium salt |
IUPAC Name: | sodium3-hydroxy-2-methylpropanoate |
Molecular Weight: | 126.1 |
Molecular Formula: | C4H7NaO3 |
Canonical SMILES: | CC(CO)C(=O)[O-].[Na+] |
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 |
Complexity: | 73.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.02928836 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.02928836 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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