SMILES:
COc1cc(CC(OC)C(=O)O)ccc1OMolecular Processing
Molecular formula
C11H14O5
Molecular weight
226.23
Exact mass
226.0841
XLogP
1.04
TPSA
75.99
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
56.8
Supplementary Information
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