107400-42-0
Product Name:
Heptanoic acid, 5-hydroxy-6,6-dimethyl-3-oxo-, ethyl ester
Formula:
C11H20O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 216.27 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 216.13615911 g/mol |
| Monoisotopic Mass | 216.13615911 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 227 |
| 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 |