SMILES:
C#CCO[C@@H]1OCC[C@H]1IMolecular Processing
Molecular formula
C7H9IO2
Molecular weight
252.05
Exact mass
251.9647
XLogP
1.19
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
46.95
Supplementary Information
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