Chemical Name - Tert Butyl Acetate
Mol Weight - 116.159
Smiles - CC(C)(C)OC(C)=O
Mol Weight - 116.159
Smiles - CC(C)(C)OC(C)=O
| Property Value | |
| Mol Name | Tert Butyl Acetate |
| Molweight | 116.159 |
| Monoisotopic Mass | 116.08373 |
| Clogp | 1.275 |
| Clogs | -1.374 |
| H Acceptors | 2 |
| Total Surface Area | 100.7 |
| Relative Psa | 0.2288 |
| Polar Surface Area | 26.3 |
| Druglikeness | -27.137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.58954 |
| Molecular Complexity | 0.59725 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Smiles | CC(C)(C)OC(C)=O |
| InChIKey | InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3 |
| InChI | WMOVHXAZOJBABW-UHFFFAOYSA-N |
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