SMILES:
COC(=O)C(C)c1ccc(O)c(C(C)=O)c1Molecular Processing
Molecular formula
C12H14O4
Molecular weight
222.24
Exact mass
222.0892
XLogP
1.87
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
58.54
Supplementary Information
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