Name: Cumene hydroperoxide
SMILES:
CC(C)C1=CC=CC=C1.O[O-]Molecular Processing
Molecular formula
C9H13O2-
Molecular weight
153.2
Exact mass
153.0921
XLogP
1.63
TPSA
43.29
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
43.16
Supplementary Information
InChIKey: MRIZMKJLUDDMHF-UHFFFAOYSA-M
Synonyme
cumen hydroperoxideMRIZMKJLUDDMHF-UHFFFAOYSA-MAKOS024438121
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