SMILES:
C=C1C(=C)C2OC1C1=C2CC2C(O)C=CC(=O)C2C1Molecular Processing
Molecular formula
C16H16O3
Molecular weight
256.3
Exact mass
256.1099
XLogP
1.7
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
19
Rings
4
Aromatic rings
0
Saturated rings
1
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
70.33
Supplementary Information
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