Name: 4-iodobenzenepropanoic acid, ethyl ester
SMILES:
CCOC(=O)CCc1ccc(I)cc1Molecular Processing
Molecular formula
C11H13IO2
Molecular weight
304.13
Exact mass
303.996
XLogP
2.79
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
64.11
Supplementary Information
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