39742-60-4
Product Name:
1-Phenethyl-4-piperidone
Formula:
C13H17NO
Synonyms:
1-(2-Phenylethyl)-4-piperidone;3-(4-Nitrophenyl)propiolic acid methyl ester;Methyl (4-nitrophenyl)-2-propynoate;Methyl 3-(4-nitrophenyl) propiolate;Methyl 3-(4-nitrophenyl)prop-2-ynoate
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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 | 203.28 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 203.131014166 g/mol |
| Monoisotopic Mass | 203.131014166 g/mol |
| Topological Polar Surface Area | 20.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 199 |
| 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 |