SMILES:
O=C(O)Cc1ccc(C(=O)O)o1Molecular Processing
Molecular formula
C7H6O5
Molecular weight
170.12
Exact mass
170.0215
XLogP
0.6
TPSA
87.74
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
37.01
Supplementary Information
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