Furan
CAS Number: 110-00-9
Molecular Mass: 68.07 g/mol
Formula: C4H4O
Smiles: c1ccoc1
Melting point: -85.61 °C
Boiling point: 31.3 °C
Density: 0.9514 g/cm3
Dipole moment: 0.67 D
Refractive index: 1.4214
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 52.8303 |
| PMI2 | 55.2728 |
| PMI3 | 108.1031 |
| NPR1 | 0.4887 |
| NPR2 | 0.5113 |
| RadiusOfGyration | 1.2602 |
| InertialShapeFactor | 0.0097 |
| Eccentricity | 0.8725 |
| Asphericity | 0.2504 |
| SpherocityIndex | 0.0000 |
| PBF | 0.0000 |