CC1C(=O)CC1c1ccccc1
SMILES: CC1C(=O)CC1c1ccccc1

Molecular Processing

Molecular formula
C11H12O
Molecular weight
160.22
Exact mass
160.0888
XLogP
2.38
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
47.97

Supplementary Information

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