136879-36-2
Product Name:
Heptanoic acid, 2-acetyl-7-chloro-, ethyl ester
Formula:
C11H19ClO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 234.72 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 9 |
| Exact Mass | 234.1022722 g/mol |
| Monoisotopic Mass | 234.1022722 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 204 |
| 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 |