Name: methyl isobutyl ketone peroxide
SMILES:
CC(=O)CC(C)(C)OOMolecular Processing
Molecular formula
C6H12O3
Molecular weight
132.16
Exact mass
132.0786
XLogP
1.23
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
33.09
Supplementary Information
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