SMILES:
COC(=O)C1CC=CCC1OC(=O)c1ccccc1Molecular Processing
Molecular formula
C15H16O4
Molecular weight
260.29
Exact mass
260.1049
XLogP
2.35
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
69.53
Supplementary Information
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