4594-78-9
Product Name:
2-(BETA-CYANOETHYL)CYCLOHEXANONE
Formula:
C9H13NO
Synonyms:
2-Oxocyclohexane-2-propionitrile;3-(2-Oxocyclohexyl)propionitrile
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H332:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 151.21 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 151.099714038 g/mol |
| Monoisotopic Mass | 151.099714038 g/mol |
| Topological Polar Surface Area | 40.9 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 189 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |