Name: 2-cyano-3-cyclohexyl-3-oxo-propionic acid ethyl ester
SMILES:
CCOC(=O)C(C#N)C(=O)C1CCCCC1Molecular Processing
Molecular formula
C12H17NO3
Molecular weight
223.27
Exact mass
223.1208
XLogP
1.84
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
57.32
Supplementary Information
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