Name: 4-formyl-2-methoxy-5-methylbenzonitrile
SMILES:
COc1cc(C=O)c(C)cc1C#NMolecular Processing
Molecular formula
C10H9NO2
Molecular weight
175.19
Exact mass
175.0633
XLogP
1.69
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
47.83
Supplementary Information
Details werden geladen…
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