SMILES:
COC(=O)CC(=Cc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C12H12O4
Molecular weight
220.22
Exact mass
220.0736
XLogP
1.72
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
58.69
Supplementary Information
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