Acetophenone
CAS Number: 98-86-2
Molecular Mass: 120.15 g/mol
Formula: C8H8O
Smiles: CC(=O)c1ccccc1
Melting point: 556.25 °C
Boiling point: 404.4 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.7686
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 137.2415 |
| PMI2 | 415.5068 |
| PMI3 | 549.4768 |
| NPR1 | 0.2498 |
| NPR2 | 0.7562 |
| RadiusOfGyration | 2.1417 |
| InertialShapeFactor | 0.0055 |
| Eccentricity | 0.9683 |
| Asphericity | 0.4368 |
| SpherocityIndex | 0.0435 |
| PBF | 0.1060 |