Mol Weight - 194.229
Smiles - CCOC(c(cccc1)c1OCC)=O
| Property Name | Property Value |
| Mol Name | 2-Ethoxy Benzoic Acid Ethyl Ester |
| Molweight | 194.229 |
| Monoisotopic Mass | 194.094295 |
| Clogp | 2.3152 |
| Clogs | -2.375 |
| H Acceptors | 3 |
| Total Surface Area | 163.05 |
| Relative Psa | 0.20264 |
| Polar Surface Area | 35.53 |
| Druglikeness | -5.4625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.47302 |
| Molecular Complexity | 0.62778 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 6 |
| Smiles | CCOC(c(cccc1)c1OCC)=O |
| InChIKey | InChI=1S/C11H14O3/c1-3-13-10-8-6-5-7-9(10)11(12)14-4-2/h5-8H,3-4H2,1-2H3 |
| InChI | OUZCDRGUTZLAGO-UHFFFAOYSA-N |
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1 — 2-Ethoxy Benzoic Acid Ethyl Ester | 2 — 2-Ethoxy Benzoic Acid Ethyl Ester