112100-39-7
Product Name:
BUTANOIC ACID, 3-HYDROXY-4-IODO-, ETHYL ESTER, (S)
Formula:
C6H11IO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 258.05 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 257.97529 g/mol |
| Monoisotopic Mass | 257.97529 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 105 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |