Nombre: 4-Cyanoisophthalic acid dimethyl ester
SMILES:
COC(=O)c1ccc(C#N)c(C(=O)OC)c1Molecular Processing
Molecular formula
C11H9NO4
Molecular weight
219.2
Exact mass
219.0532
XLogP
1.13
TPSA
76.39
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
53.84
Supplementary Information
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