116193-72-7
Product Name:
1,3-Dioxane-5-carboxylicacid,2-(1-methylethyl)-(9CI)
Formula:
C8H14O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 174.19 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 174.08920892 g/mol |
| Monoisotopic Mass | 174.08920892 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 158 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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