SMILES:
O=C(O)CC1C=C(O)C2=C(C1)C(=O)c1ccccc1C2=OMolecular Processing
Molecular formula
C16H12O5
Molecular weight
284.27
Exact mass
284.0685
XLogP
2.3
TPSA
91.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
73.2
Supplementary Information
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