SMILES:
COC(=O)C1C[C@H]2C[C@H]1CC21OCCO1Molecular Processing
Molecular formula
C11H16O4
Molecular weight
212.24
Exact mass
212.1049
XLogP
0.95
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
50.97
Supplementary Information
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