1655-07-8
Product Name:
Ethyl 2-oxocyclohexanecarboxylate
Formula:
C9H14O3
Synonyms:
2-(Ethoxycarbonyl)cyclohexanone;Ethyl 2-oxocyclohexanecarboxylate;Ethyl cyclohexanone-2-carboxylate;Ethyl-2-oxocyclohexancarboxylat
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 170.21 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 170.094294304 g/mol |
| Monoisotopic Mass | 170.094294304 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 186 |
| 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 |