540722-96-1
Product Name:
1,4-Dioxane-2-carboxylic acid, 2-methyl-3,5-dioxo-
Formula:
C6H6O6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 174.11 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 174.01643791 g/mol |
| Monoisotopic Mass | 174.01643791 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 257 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |