3-Hydroxymyristic acid - CAS 1961-72-4
Catalog: |
BB054034 |
Product Name: |
3-Hydroxymyristic acid |
CAS: |
1961-72-4 |
Synonyms: |
β-Hydroxymyristic Acid; β-Hydroxytetradecanoic Acid; (3RS)-3-Hydroxytetradecanoic Acid; (RS)-3-Hydroxytetradecanoic Acid; (±)-3-Hydroxytetradecanoic Acid; (±)-3-Hydroxymyristic Acid |
IUPAC Name: | 3-hydroxytetradecanoic acid |
Molecular Weight: | 244.37 |
Molecular Formula: | C14H28O3 |
Canonical SMILES: | CCCCCCCCCCCC(CC(=O)O)O |
InChI: | InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17) |
InChI Key: | ATRNZOYKSNPPBF-UHFFFAOYSA-N |
Boiling Point: | 376.9±25.0°C at 760 mmHg |
Melting Point: | 78-81°C |
Purity: | 95% |
Density: | 0.969±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.20384475 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.20384475 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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