Eugenol
CAS Number: 97-53-0
Molecular Mass: 164.2 g/mol
Formula: C10H12O2
Smiles: C=CCc1ccc(O)c(OC)c1
Melting point: -9.1 °C
Boiling point: 404.4 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.77025
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 312.1512 |
| PMI2 | 922.3347 |
| PMI3 | 1167.7147 |
| NPR1 | 0.2673 |
| NPR2 | 0.7899 |
| RadiusOfGyration | 2.7046 |
| InertialShapeFactor | 0.0025 |
| Eccentricity | 0.9636 |
| Asphericity | 0.4036 |
| SpherocityIndex | 0.1535 |
| PBF | 0.5420 |