SMILES:
CCOC(=O)C1CC2(CCC2)CCC1=OMolecular Processing
Molecular formula
C12H18O3
Molecular weight
210.27
Exact mass
210.1256
XLogP
2.09
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
55.27
Supplementary Information
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