100386-15-0
Product Name:
Hexanoic acid, 3-hydroxy-2-methyl-3-propyl-, ethyl ester
Formula:
C12H24O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 216.32 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 216.17254462 g/mol |
| Monoisotopic Mass | 216.17254462 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 183 |
| 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 |