CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1740 1718 |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 Health Hazard GHS08 Environment GHS09 |
GHS Hazard Statements |
H302:Acute toxicity,oral H361:Reproductive toxicity H372:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
COMPUTED DESCRIPTORS
Molecular Weight | 258.35 g/mol |
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XLogP3 | 4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 13 |
Exact Mass | 258.18310931 g/mol |
Monoisotopic Mass | 258.18310931 g/mol |
Topological Polar Surface Area | 52.6 Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 202 |
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 |