SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
Molecular Weight | 111.16 g/mol |
---|---|
XLogP3 | 2.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Exact Mass | 111.076345112 g/mol |
Monoisotopic Mass | 111.076345112 g/mol |
Topological Polar Surface Area | 9.2 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 55.4 |
Isotope Atom Count | 3 |
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 |