SMILES:
CC(=O)OCC1OC(OC(C)=O)C(Cl)C1OC(C)=OMolecular Processing
Molecular formula
C11H15ClO7
Molecular weight
294.69
Exact mass
294.0506
XLogP
0.38
TPSA
88.13
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
62.26
Supplementary Information
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