133-13-1
Product Name:
Diethyl ethylmalonate
Formula:
C9H16O4
Synonyms:
Diethyl ethylmalonate;Ethylmalonic acid diethyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless liquid; [Acros Organics MSDS] |
|---|---|
| Kovats Retention Index | 1148 |
| Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 188.22 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 188.10485899 g/mol |
| Monoisotopic Mass | 188.10485899 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 159 |
| 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 |