Nombre: methyl 3-(4-cyanotetrahydro-2H-pyran-4-yl)benzoate
SMILES:
COC(=O)c1cccc(C2(C#N)CCOCC2)c1Molecular Processing
Molecular formula
C14H15NO3
Molecular weight
245.28
Exact mass
245.1052
XLogP
2.04
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
65.13
Supplementary Information
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