SMILES:
COc1ccc2c(c1)OCCO2Molecular Processing
Molecular formula
C9H10O3
Molecular weight
166.18
Exact mass
166.063
XLogP
1.47
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
43.98
Supplementary Information
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