SMILES:
CCOC(=O)C1CC1c1ccccc1Molecular Processing
Molecular formula
C12H14O2
Molecular weight
190.24
Exact mass
190.0994
XLogP
2.35
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
53.92
Supplementary Information
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