الاسم: 4-(4-Methoxy-phenyl)-but-3-enenitrile
SMILES:
COc1ccc(C=CCC#N)cc1Molecular Processing
Molecular formula
C11H11NO
Molecular weight
173.22
Exact mass
173.0841
XLogP
2.62
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
52.26
Supplementary Information
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