SMILES:
COc1cc(C(=O)O)cc(OC)c1OC(C)=OMolecular Processing
Molecular formula
C11H12O6
Molecular weight
240.21
Exact mass
240.0634
XLogP
1.33
TPSA
82.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
57.81
Supplementary Information
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