Methyl Lactate
CAS Number: 2155-30-8
Molecular Mass: 104.1 g/mol
Formula: C4H8O3
Smiles: COC(=O)C(C)O
Melting point: 66.0 °C
Boiling point: 144.5 °C
Density: 1.09 g/cm3
Dipole moment: - D
Refractive index: 1.4156
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 105.5283 |
| PMI2 | 270.6276 |
| PMI3 | 352.6004 |
| NPR1 | 0.2993 |
| NPR2 | 0.7675 |
| RadiusOfGyration | 1.8709 |
| InertialShapeFactor | 0.0073 |
| Eccentricity | 0.9542 |
| Asphericity | 0.3578 |
| SpherocityIndex | 0.2257 |
| PBF | 0.4519 |