SMILES:
CC(=O)Oc1ccc(O)cc1C(C)(C)CMolecular Processing
Molecular formula
C12H16O3
Molecular weight
208.26
Exact mass
208.1099
XLogP
2.62
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
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
0.417
Molar refractivity
58.12
Supplementary Information
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