CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 167.08 Ų [M+H]+ 168.85 Ų [M+H]+ |
|---|---|
| Kovats Retention Index | 2132.9 2043.1 2045 2045.9 2097.5 2102.6 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 295.2 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 294.0326684 g/mol |
| Monoisotopic Mass | 294.0326684 g/mol |
| Topological Polar Surface Area | 34.5 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 312 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |