SMILES:
CC(=O)OC1C=CC(OC2CCCCO2)C1Molecular Processing
Molecular formula
C12H18O4
Molecular weight
226.27
Exact mass
226.1205
XLogP
1.79
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
57.78
Supplementary Information
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