CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 891 |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H303:Acute toxicity,oral |
| Precautionary Statement Codes |
P312:Call a POISON CENTER or doctor/physician if you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 113.20 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 113.120449483 g/mol |
| Monoisotopic Mass | 113.120449483 g/mol |
| Topological Polar Surface Area | 12 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 55.4 |
| 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 |