SMILES:
COC(=O)C(CI)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C9H15IO4
Molecular weight
314.12
Exact mass
314.0015
XLogP
1.55
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
60.24
Supplementary Information
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