Name: 3-iodo-but-2Z-en-1-ol
SMILES:
C/C(I)=C/COMolecular Processing
Molecular formula
C4H7IO
Molecular weight
198
Exact mass
197.9542
XLogP
1.32
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
34.86
Supplementary Information
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