SMILES:
COc1cc2c(cc1C(=O)O)OCO2Molecular Processing
Molecular formula
C9H8O5
Molecular weight
196.16
Exact mass
196.0372
XLogP
1.12
TPSA
64.99
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
46.08
Supplementary Information
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