SMILES:
CCC(C)C1CC(=O)CC(=O)C1Molecular Processing
Molecular formula
C10H16O2
Molecular weight
168.24
Exact mass
168.115
XLogP
1.97
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
46.81
Supplementary Information
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