Furfural
CAS Number: 98-01-1
Molecular Mass: 96.08 g/mol
Formula: C5H4O2
Smiles: O=Cc1ccco1
Melting point: -37.0 °C
Boiling point: 161.7 °C
Density: 1.1594 g/cm3
Dipole moment: - D
Refractive index: 1.5261
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 62.1698 |
| PMI2 | 242.1238 |
| PMI3 | 304.2936 |
| NPR1 | 0.2043 |
| NPR2 | 0.7957 |
| RadiusOfGyration | 1.7796 |
| InertialShapeFactor | 0.0128 |
| Eccentricity | 0.9789 |
| Asphericity | 0.5123 |
| SpherocityIndex | 0.0000 |
| PBF | 0.0000 |