Name: 3,4,5-trimethoxybenzonitrile
SMILES:
COc1cc(C#N)cc(OC)c1OCMolecular Processing
Molecular formula
C10H11NO3
Molecular weight
193.2
Exact mass
193.0739
XLogP
1.58
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
50.81
Supplementary Information
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Involved in 9 reactions→