CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 172.88 Ų [M+H]+ [CCS Type: TW] |
|---|---|
| Kovats Retention Index | 2002 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P262:Do not get in eyes, on skin, or on clothing. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 320.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 320.03395967 g/mol |
| Monoisotopic Mass | 320.03395967 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 357 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |