Name: (E)-3-iodo-prop-2-enoic-acid ethyl ester
SMILES:
CCOC(=O)/C=C/IMolecular Processing
Molecular formula
C5H7IO2
Molecular weight
226.01
Exact mass
225.9491
XLogP
1.5
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
39.79
Supplementary Information
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