SMILES:
CC(=O)Oc1cc(O)cc(C(=O)O)c1Molecular Processing
Molecular formula
C9H8O5
Molecular weight
196.16
Exact mass
196.0372
XLogP
1.02
TPSA
83.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
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
0.111
Molar refractivity
46.38
Supplementary Information
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