Chemical Name - Di Ethyl Oxalate
Mol Weight - 146.141
Smiles - CCOC(C(OCC)=O)=O
Mol Weight - 146.141
Smiles - CCOC(C(OCC)=O)=O
| Property Value | |
| Mol Name | Di Ethyl Oxalate |
| Molweight | 146.141 |
| Monoisotopic Mass | 146.05791 |
| Clogp | 0.093 |
| Clogs | -0.79 |
| H Acceptors | 4 |
| Total Surface Area | 121.04 |
| Relative Psa | 0.3807 |
| Polar Surface Area | 52.6 |
| Druglikeness | -15.174 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.32403 |
| Molecular Complexity | 0.64124 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 5 |
| Smiles | CCOC(C(OCC)=O)=O |
| InChIKey | InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3 |
| InChI | WYACBZDAHNBPPB-UHFFFAOYSA-N |
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