Acetylacetone
CAS Number: 123-54-6
Molecular Mass: 100.12 g/mol
Formula: C5H8O2
Smiles: CC(=O)CC(C)=O
Melting point: 534.6 °C
Boiling point: 404.4 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.7247
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 121.8909 |
| PMI2 | 264.6819 |
| PMI3 | 332.3357 |
| NPR1 | 0.3668 |
| NPR2 | 0.7964 |
| RadiusOfGyration | 1.8948 |
| InertialShapeFactor | 0.0065 |
| Eccentricity | 0.9303 |
| Asphericity | 0.2680 |
| SpherocityIndex | 0.4688 |
| PBF | 0.7040 |