(1S,5R)-6,8-dioxabicyclo(3.2.1)octan-4-one
CAS Number: 53716-82-8
Molecular Mass: 128.13 g/mol
Formula: C6H8O3
Smiles: O=C1C2CCOC1C(CO)C2
Melting point: - °C
Boiling point: - °C
Density: - g/cm3
Dipole moment: - D
Refractive index: -
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 284.4838 |
| PMI2 | 505.2804 |
| PMI3 | 555.2493 |
| NPR1 | 0.5124 |
| NPR2 | 0.9100 |
| RadiusOfGyration | 2.0751 |
| InertialShapeFactor | 0.0032 |
| Eccentricity | 0.8588 |
| Asphericity | 0.1377 |
| SpherocityIndex | 0.5446 |
| PBF | 0.8277 |