2-Pentanone
CAS Number: 107-87-9
Molecular Mass: 86.13 g/mol
Formula: C5H10O
Smiles: CCCC(C)=O
Melting point: 505.6 °C
Boiling point: 252.8 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.6947
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 76.6622 |
| PMI2 | 235.9240 |
| PMI3 | 264.4789 |
| NPR1 | 0.2899 |
| NPR2 | 0.8920 |
| RadiusOfGyration | 1.8302 |
| InertialShapeFactor | 0.0116 |
| Eccentricity | 0.9571 |
| Asphericity | 0.3691 |
| SpherocityIndex | 0.3445 |
| PBF | 0.5396 |