SMILES:
CC(=O)c1ccc(C(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C13H16O3
Molecular weight
220.27
Exact mass
220.1099
XLogP
2.84
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
61.62
Supplementary Information
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