CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 150.52 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] 168.64 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] |
|---|---|
| Chemical Classes | PFAS |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H290:Corrosive to Metals H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P234:Keep only in original container. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P390:Absorb spillage to prevent material damage. P405:Store locked up. P406:Store in corrosive resistant/… container with a resistant inner liner. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 480.53 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 8 |
| Exact Mass | 479.9409576 g/mol |
| Monoisotopic Mass | 479.9409576 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 626 |
| 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 |