SMILES:
COc1cc(C(=O)CC(O)C(=O)O)cc(OC)c1OCMolecular Processing
Molecular formula
C13H16O7
Molecular weight
284.26
Exact mass
284.0896
XLogP
0.73
TPSA
102.29
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
68.69
Supplementary Information
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