Methyl p-tert-butylbenzoate
CAS Number: 26537-19-9
Molecular Mass: 192.25 g/mol
Formula: C12H16O2
Smiles: COC(=O)c1ccc(C(C)(C)C)cc1
Melting point: - °C
Boiling point: - °C
Density: - g/cm3
Dipole moment: - D
Refractive index: -
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 258.7690 |
| PMI2 | 1671.5336 |
| PMI3 | 1815.2242 |
| NPR1 | 0.1426 |
| NPR2 | 0.9208 |
| RadiusOfGyration | 3.1210 |
| InertialShapeFactor | 0.0036 |
| Eccentricity | 0.9898 |
| Asphericity | 0.6328 |
| SpherocityIndex | 0.1734 |
| PBF | 0.5204 |