1-[2,4,6-Tris(methoxymethoxy)phenyl]-ethanone - CAS 36804-11-2
Catalog: |
BB057037 |
Product Name: |
1-[2,4,6-Tris(methoxymethoxy)phenyl]-ethanone |
CAS: |
36804-11-2 |
Synonyms: |
2,4,6-Tris(methoxymethoxy)acetophenone; Phloroacetophenone Trimethoxymethyl Ether |
IUPAC Name: | 1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone |
Description: | 1-[2,4,6-Tris(methoxymethoxy)phenyl]-ethanone, is used as a reactant in the synthesis and antioxygenic activities of seabukthorn flavone-3-ols and analogs. |
Molecular Weight: | 300.3 |
Molecular Formula: | C14H20O7 |
Canonical SMILES: | CC(=O)C1=C(C=C(C=C1OCOC)OCOC)OCOC |
InChI: | InChI=1S/C14H20O7/c1-10(15)14-12(20-8-17-3)5-11(19-7-16-2)6-13(14)21-9-18-4/h5-6H,7-9H2,1-4H3 |
InChI Key: | VRDSPVUFCCVMCF-UHFFFAOYSA-N |
References: | Pandurangan, N., et al. Bioorg. Med. Chem. Lett., 21, 5328 (2011). |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.12090297 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.12090297 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 72.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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