SMILES:
COc1cc(C=O)ccc1OCCOC(C)=OMolecular Processing
Molecular formula
C12H14O5
Molecular weight
238.24
Exact mass
238.0841
XLogP
1.45
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
60.51
Supplementary Information
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