CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1141.8 |
---|
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Corrosion Corrosives GHS05 Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H314:Skin corrosion/irritation H318:Serious eye damage/eye irritation H331:Acute toxicity,inhalation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P309:IF exposed or if you feel unwell: P310:Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 159.21 g/mol |
---|---|
XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Exact Mass | 159.03539970 g/mol |
Monoisotopic Mass | 159.03539970 g/mol |
Topological Polar Surface Area | 70.8 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 163 |
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 |