Triacetin
CAS Number: 102-76-1
Molecular Mass: 218.2 g/mol
Formula: C9H14O6
Smiles: CC(=O)OCC(COC(C)=O)OC(C)=O
Melting point: -78.0 °C
Boiling point: -0.5 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 25.0
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 897.4370 |
| PMI2 | 1168.8376 |
| PMI3 | 1707.6103 |
| NPR1 | 0.5256 |
| NPR2 | 0.6845 |
| RadiusOfGyration | 2.9407 |
| InertialShapeFactor | 0.0008 |
| Eccentricity | 0.8508 |
| Asphericity | 0.1433 |
| SpherocityIndex | 0.4739 |
| PBF | 1.1243 |