Sodium 4-Hydroxy-3,3-dimethylbutanoate
Catalog: |
BB057745 |
Product Name: |
Sodium 4-Hydroxy-3,3-dimethylbutanoate |
Synonyms: |
Sodium 4-hydroxy-3,3-dimethylbutanoate; sodium; 4-hydroxy-3,3-dimethylbutanoate; 4-hydroxy-3,3-dimethylbutanoic acid; Sodium4-hydroxy-3,3-dimethylbutanoate |
IUPAC Name: | sodium4-hydroxy-3,3-dimethylbutanoate |
Description: | Sodium 4-Hydroxy-3,3-dimethylbutanoate (cas# 86126-08-1) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 154.13 |
Molecular Formula: | C6H11O3Na |
Canonical SMILES: | CC(C)(CC(=O)[O-])CO.[Na+] |
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 |
Melting Point: | > 162 C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C, Hygroscopic |
References: | Ford, M. C., et al. J. Chem. Soc., 833 0360 (1950); Klunk, W. E., et al. Mol. Pharmacol., 22, 431 (1982). |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.06058849 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.06058849 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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