SMILES:
COC(=O)c1cccc(C)c1OMolecular Processing
Molecular formula
C9H10O3
Molecular weight
166.18
Exact mass
166.063
XLogP
1.49
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
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
0.222
Molar refractivity
44.18
Supplementary Information
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