Mol Weight - 188.178
Smiles - CCOC(CC(C(OCC)=O)=O)=O.[Na]
| Property Name | Property Value |
| Mol Name | Diethyl Oxalacetate Sodium Salt |
| Molweight | 188.178 |
| Monoisotopic Mass | 188.068475 |
| Clogp | -0.0512 |
| Clogs | -0.982 |
| H Acceptors | 5 |
| Total Surface Area | 152.55 |
| Relative Psa | 0.38755 |
| Polar Surface Area | 69.67 |
| Druglikeness | -36.109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.76923 |
| Molecular Flexibility | 0.64725 |
| Molecular Complexity | 0.54302 |
| Fragments | 2 |
| Non H Atoms | 13 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 7 |
| Sp3 Atoms | 7 |
| Smiles | CCOC(CC(C(OCC)=O)=O)=O.[Na] |
| InChIKey | InChI=1S/C8H12O5.Na.H/c1-3-12-7(10)5-6(9)8(11)13-4-2;;/h3-5H2,1-2H3;; |
| InChI | NQGLOLWOAHXKQU-UHFFFAOYSA-N |
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1 — Diethyl Oxalacetate Sodium Salt | 2 — Diethyl Oxalacetate Sodium Salt