SMILES:
COc1cc(C(=O)C=CC(=O)O)cc(OC)c1OCMolecular Processing
Molecular formula
C13H14O6
Molecular weight
266.25
Exact mass
266.079
XLogP
1.54
TPSA
82.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
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
0.231
Molar refractivity
67.2
Supplementary Information
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