SMILES:
COc1ccc(C(=O)CCC(=O)O)c(OC)c1OCMolecular Processing
Molecular formula
C13H16O6
Molecular weight
268.26
Exact mass
268.0947
XLogP
1.76
TPSA
82.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
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
0.385
Molar refractivity
67.3
Supplementary Information
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