Name: 1-[2-(2,2-dichlorovinyl)-3,3-dimethylcyclopropyl]-3-oxo-2-butyl acetate
SMILES:
CC(=O)OC(CC1C(C=C(Cl)Cl)C1(C)C)C(C)=OMolecular Processing
Molecular formula
C13H18Cl2O3
Molecular weight
293.19
Exact mass
292.0633
XLogP
3.49
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
71.4
Supplementary Information
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