SMILES:
O=C(O)c1cccc2c1OCO2Molecular Processing
Molecular formula
C8H6O4
Molecular weight
166.13
Exact mass
166.0266
XLogP
1.11
TPSA
55.76
H-bond donors
1
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
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
39.52
Supplementary Information
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