827574-89-0
Product Name:
Octanoic acid, 5-hydroxy-5-methyl-4-oxo-, methyl ester
Formula:
C10H18O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 202.25 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 202.12050905 g/mol |
| Monoisotopic Mass | 202.12050905 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 212 |
| 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 |