SMILES:
COc1ccc2c(C(=O)CC(C)=O)c(OC)ccc2c1Molecular Processing
Molecular formula
C16H16O4
Molecular weight
272.3
Exact mass
272.1049
XLogP
3.02
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
76.68
Supplementary Information
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