Propionitrile
CAS Number: 107-12-0
Molecular Mass: 55.08 g/mol
Formula: C3H5N
Smiles: CCC#N
Melting point: -91.8 °C
Boiling point: 97.2 °C
Density: 0.783 g/cm3
Dipole moment: 4.011 D
Refractive index: 1.36585
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 18.0855 |
| PMI2 | 107.0554 |
| PMI3 | 118.8482 |
| NPR1 | 0.1522 |
| NPR2 | 0.9008 |
| RadiusOfGyration | 1.4882 |
| InertialShapeFactor | 0.0498 |
| Eccentricity | 0.9884 |
| Asphericity | 0.6117 |
| SpherocityIndex | 0.3869 |
| PBF | 0.3926 |