5,5-Difluoro-2,2-dimethyl-1,3-dioxane-4,6-dione - CAS 1031926-89-2
Catalog: |
BB001038 |
Product Name: |
5,5-Difluoro-2,2-dimethyl-1,3-dioxane-4,6-dione |
CAS: |
1031926-89-2 |
Synonyms: |
5,5-difluoro-2,2-dimethyl-1,3-dioxane-4,6-dione; 5,5-difluoro-2,2-dimethyl-1,3-dioxane-4,6-dione |
IUPAC Name: | 5,5-difluoro-2,2-dimethyl-1,3-dioxane-4,6-dione |
Description: | 5,5-Difluoro-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS# 1031926-89-2 ) is a useful research chemical. |
Molecular Weight: | 180.11 |
Molecular Formula: | C6H6F2O4 |
Canonical SMILES: | CC1(OC(=O)C(C(=O)O1)(F)F)C |
InChI: | InChI=1S/C6H6F2O4/c1-5(2)11-3(9)6(7,8)4(10)12-5/h1-2H3 |
InChI Key: | LOCAYNGHRZTWIG-UHFFFAOYSA-N |
LogP: | 0.45780 |
Publication Number | Title | Priority Date |
US-6458775-B1 | NAALADase inhibitors useful as pharmaceutical compounds and compositions | 19980706 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.02341499 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.02341499 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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