SMILES:
CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Cl)c1Molecular Processing
Molecular formula
C11H9ClO5
Molecular weight
256.64
Exact mass
256.0139
XLogP
1.92
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
59.24
Supplementary Information
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