Name: ethyl 2-[1-(3-butoxy-4-iodophenyl)meth-(E)-ylidene]butyrate
SMILES:
CCCCOc1cc(/C=C(\CC)C(=O)OCC)ccc1IMolecular Processing
Molecular formula
C17H23IO3
Molecular weight
402.27
Exact mass
402.0692
XLogP
4.83
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
94.46
Supplementary Information
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