29569-79-7
Product Name:
ETHYL (1S,2S)-TRANS-2-HYDROXYCYCLOHEXANECARBOXYLATE
Formula:
C9H16O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1275 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 172.22 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 172.109944368 g/mol |
| Monoisotopic Mass | 172.109944368 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 156 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |