Methyl formate
CAS Number: 107-31-3
Molecular Mass: 60.05 g/mol
Formula: C2H4O2
Smiles: COC=O
Melting point: -100.0 °C
Boiling point: 31.5 °C
Density: 0.975 g/cm3
Dipole moment: 1.77 D
Refractive index: 1.3433
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 25.4909 |
| PMI2 | 74.2646 |
| PMI3 | 96.4838 |
| NPR1 | 0.2642 |
| NPR2 | 0.7697 |
| RadiusOfGyration | 1.2782 |
| InertialShapeFactor | 0.0302 |
| Eccentricity | 0.9645 |
| Asphericity | 0.4109 |
| SpherocityIndex | 0.2357 |
| PBF | 0.2252 |