SMILES:
C=O.O=C(O)c1ccccc1OMolecular Processing
Molecular formula
C8H8O4
Molecular weight
168.15
Exact mass
168.0423
XLogP
0.91
TPSA
74.6
H-bond donors
2
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
4
Covalent units
2
Fraction Csp3
0
Molar refractivity
42.19
Supplementary Information
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