(±)-2-Acetoxybutyric Acid - CAS 19947-43-4
Catalog: |
BB061189 |
Product Name: |
(±)-2-Acetoxybutyric Acid |
CAS: |
19947-43-4 |
Synonyms: |
2-(Acetyloxy)butanoic Acid; (±)-2-(Acetyloxy)butanoic Acid; (±)-2-Acetoxybutanoic Acid; 2-Acetoxybutyric Acid; 2-Hydroxy-butyric Acid |
IUPAC Name: | 2-acetyloxybutanoic acid |
Description: | (±)-2-Acetoxybutyric Acid is an intermediate in synthesizing 2-Hydroxy-N-(pyridin-4-yl)butanamide (H953495). It is a is a useful synthetic intermediate. |
Molecular Weight: | 146.14 |
Molecular Formula: | C6H10O4 |
Canonical SMILES: | CCC(C(=O)O)OC(=O)C |
InChI: | InChI=1S/C6H10O4/c1-3-5(6(8)9)10-4(2)7/h5H,3H2,1-2H3,(H,8,9) |
InChI Key: | GELZYBXBKFHYEN-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly, Sonicated), DMSO (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C, Hygroscopic |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.0579088 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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