81056-10-2
Product Name:
CIS, TRANS, TRANS-3,5-DIOXA-BICYCLO[5.1.0]OCTANE-8-CARBOXYLIC ACID ETHYL ESTER
Formula:
C9H14O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 186.20 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 186.08920892 g/mol |
| Monoisotopic Mass | 186.08920892 g/mol |
| Topological Polar Surface Area | 44.8 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 192 |
| 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 |