SMILES:
C=Cc1ccc(CCOC(=O)C(=O)OCC)cc1Molecular Processing
Molecular formula
C14H16O4
Molecular weight
248.28
Exact mass
248.1049
XLogP
1.98
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
67.83
Supplementary Information
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