2-Phenylethanol
CAS Number: 60-12-8
Molecular Mass: 122.16 g/mol
Formula: C8H10O
Smiles: OCCc1ccccc1
Melting point: -27.0 °C
Boiling point: 218.2 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.76625
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 134.9496 |
| PMI2 | 495.6311 |
| PMI3 | 600.2006 |
| NPR1 | 0.2248 |
| NPR2 | 0.8258 |
| RadiusOfGyration | 2.2444 |
| InertialShapeFactor | 0.0061 |
| Eccentricity | 0.9744 |
| Asphericity | 0.4720 |
| SpherocityIndex | 0.1548 |
| PBF | 0.4107 |