이름: 2-(3-carbethoxypropyl)cyclohexan-1-one
SMILES:
CCOC(=O)CCCC1CCCCC1=OMolecular Processing
Molecular formula
C12H20O3
Molecular weight
212.29
Exact mass
212.1412
XLogP
2.48
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
57.45
Supplementary Information
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