SMILES:
COC(=O)c1cc(O)cc(O)c1Molecular Processing
Molecular formula
C8H8O4
Molecular weight
168.15
Exact mass
168.0423
XLogP
0.88
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
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
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
41.11
Supplementary Information
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