Cumene
CAS Number: 98-82-8
Molecular Mass: 120.19 g/mol
Formula: C9H12
Smiles: CC(C)c1ccccc1
Melting point: 498.4 °C
Boiling point: 404.4 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 1.4915
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 151.0044 |
| PMI2 | 467.8676 |
| PMI3 | 510.0610 |
| NPR1 | 0.2961 |
| NPR2 | 0.9173 |
| RadiusOfGyration | 2.1671 |
| InertialShapeFactor | 0.0061 |
| Eccentricity | 0.9552 |
| Asphericity | 0.3627 |
| SpherocityIndex | 0.3990 |
| PBF | 0.5734 |