918400-96-1
Product Name:
Heptanoic acid, 2-ethyl-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
Formula:
C14H28O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 276.37 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 276.19367399 g/mol |
| Monoisotopic Mass | 276.19367399 g/mol |
| Topological Polar Surface Area | 87 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 230 |
| 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 |