Compound Structure

tert-Butyl acetate

CAS Number: 540-88-5

Molecular Mass: 116.16 g/mol

Formula: C6H12O2

Smiles: CC(=O)OC(C)(C)C

Melting point: - °C

Boiling point: 404.4 °C

Density: - g/cm3

Dipole moment: - D

Refractive index: 10.69275

Molecule 3D descriptors

Descriptor Value
PMI1 153.3966
PMI2 355.3903
PMI3 391.9341
NPR1 0.3914
NPR2 0.9068
RadiusOfGyration 1.9690
InertialShapeFactor 0.0059
Eccentricity 0.9202
Asphericity 0.2441
SpherocityIndex 0.5614
PBF 0.7854