CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1961.5 1945.5 |
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SAFETY INFORMATION
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. |
COMPUTED DESCRIPTORS
Molecular Weight | 211.26 g/mol |
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XLogP3 | 2.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 3 |
Exact Mass | 211.099714038 g/mol |
Monoisotopic Mass | 211.099714038 g/mol |
Topological Polar Surface Area | 43.1 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 209 |
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 |