tert-Butyl acetate
CAS Number: 540-88-5
Molecular Mass: 116.16 g/mol
Formula: C6H12O2
Smiles: CC(=O)OC(C)(C)C
Melting point: - °C
Boiling point: 404.4 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.69275
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 153.3966 |
| PMI2 | 355.3903 |
| PMI3 | 391.9341 |
| NPR1 | 0.3914 |
| NPR2 | 0.9068 |
| RadiusOfGyration | 1.9690 |
| InertialShapeFactor | 0.0059 |
| Eccentricity | 0.9202 |
| Asphericity | 0.2441 |
| SpherocityIndex | 0.5614 |
| PBF | 0.7854 |