1,3-Propanediol
CAS Number: 504-63-2
Molecular Mass: 76.09 g/mol
Formula: C3H8O2
Smiles: OCCCO
Melting point: - °C
Boiling point: -1.0 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.7199
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 55.7240 |
| PMI2 | 169.7429 |
| PMI3 | 181.3661 |
| NPR1 | 0.3072 |
| NPR2 | 0.9359 |
| RadiusOfGyration | 1.6350 |
| InertialShapeFactor | 0.0168 |
| Eccentricity | 0.9516 |
| Asphericity | 0.3495 |
| SpherocityIndex | 0.5708 |
| PBF | 0.7103 |