Chemical Name - Diethyl Malonate
Mol Weight - 160.168
Smiles - CCOC(CC(OCC)=O)=O
Mol Weight - 160.168
Smiles - CCOC(CC(OCC)=O)=O
| Property Value | |
| Mol Name | Diethyl Malonate |
| Molweight | 160.168 |
| Monoisotopic Mass | 160.07356 |
| Clogp | 0.5474 |
| Clogs | -1.06 |
| H Acceptors | 4 |
| Total Surface Area | 134.8 |
| Relative Psa | 0.34184 |
| Polar Surface Area | 52.6 |
| Druglikeness | -24.369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.81818 |
| Molecular Flexibility | 0.70959 |
| Molecular Complexity | 0.51299 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 6 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 5 |
| Smiles | CCOC(CC(OCC)=O)=O |
| InChIKey | InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3 |
| InChI | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
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1 - Diethyl Malonate
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2 - Diethyl Malonate
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